USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1238 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 99 LYS NZ :NH3+ 139:sc= 1.3 (180deg=0) USER MOD Set 1.2: B 100 ASN : amide:sc= 0.0308 K(o=1.3,f=-7.4!) USER MOD Set 2.1: B 59 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: B 62 LYS NZ :NH3+ 136:sc= 1.21 (180deg=-0.563) USER MOD Set 3.1: B 53 THR OG1 : rot -159:sc= 0.349 USER MOD Set 3.2: B 56 LYS NZ :NH3+ 158:sc= 1.49 (180deg=1.06) USER MOD Set 4.1: A 68 HIS : +bothHN:sc= 2.05 K(o=3.1,f=-14!) USER MOD Set 4.2: B 109 GLN : amide:sc= 1.07 K(o=3.1,f=-3.1) USER MOD Single : A 1 MET CE :methyl 150:sc= 0 (180deg=-0.437) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.29 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= 1.07 (180deg=0.885) USER MOD Single : A 7 THR OG1 : rot 77:sc= 0.542 USER MOD Single : A 9 THR OG1 : rot -35:sc= 0.968 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.05) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.118 USER MOD Single : A 22 THR OG1 : rot 146:sc= 0.408 USER MOD Single : A 25 ASN : amide:sc= 0.402 K(o=0.4,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.82 (180deg=1.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.79 (180deg=1.79) USER MOD Single : A 31 GLN : amide:sc= -0.496 K(o=-0.5,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.03) USER MOD Single : A 40 GLN : amide:sc= 1.25 K(o=1.2,f=-0.0049) USER MOD Single : A 41 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 57 SER OG : rot 180:sc= 0.121 USER MOD Single : A 59 TYR OH : rot -39:sc= 0.411 USER MOD Single : A 60 ASN : amide:sc=-0.00326 X(o=-0.0033,f=-0.00053) USER MOD Single : A 62 GLN : amide:sc= -0.0446 K(o=-0.045,f=-0.58) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -97:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.3) USER MOD Single : B 51 GLN : amide:sc= 0.0944 K(o=0.094,f=-5.7!) USER MOD Single : B 52 GLN : amide:sc= -0.0912 K(o=-0.091,f=-0.8) USER MOD Single : B 54 SER OG : rot 74:sc= 0.158 USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.019) USER MOD Single : B 78 SER OG : rot -47:sc= 0.414 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ -155:sc= -0.0498 (180deg=-0.33) USER MOD Single : B 83 TYR OH : rot -24:sc= 0.64 USER MOD Single : B 84 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.4!) USER MOD Single : B 85 THR OG1 : rot -96:sc= 1.28 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -71:sc= 1.21 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 98 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 103 ASN : amide:sc= -0.0369 K(o=-0.037,f=-5.5!) USER MOD Single : B 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ 160:sc= 0.304 (180deg=-0.137!) USER MOD Single : B 117 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.84) USER MOD Single : B 118 THR OG1 : rot -84:sc= 1.18 USER MOD Single : B 119 LYS NZ :NH3+ 131:sc= 1.22 (180deg=0.541) USER MOD Single : B 121 GLN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : B 122 MET CE :methyl -161:sc= -0.0701 (180deg=-0.471) USER MOD Single : B 127 ASN : amide:sc= 0.113 X(o=0.11,f=0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.377 4.227 -8.975 1.00 1.19 N ATOM 2 CA MET A 1 -19.036 4.740 -9.347 1.00 1.06 C ATOM 3 C MET A 1 -18.051 3.590 -9.497 1.00 1.03 C ATOM 4 O MET A 1 -18.399 2.431 -9.264 1.00 1.13 O ATOM 5 CB MET A 1 -18.512 5.728 -8.297 1.00 1.01 C ATOM 6 CG MET A 1 -18.145 5.086 -6.967 1.00 1.07 C ATOM 7 SD MET A 1 -16.974 6.076 -6.013 1.00 1.25 S ATOM 8 CE MET A 1 -17.964 7.517 -5.622 1.00 1.32 C ATOM 0 H1 MET A 1 -20.881 4.946 -8.418 1.00 1.19 H new ATOM 0 H2 MET A 1 -20.919 4.014 -9.837 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.273 3.361 -8.409 1.00 1.19 H new ATOM 0 HA MET A 1 -19.133 5.261 -10.300 1.00 1.06 H new ATOM 0 HB2 MET A 1 -17.634 6.235 -8.698 1.00 1.01 H new ATOM 0 HB3 MET A 1 -19.270 6.492 -8.123 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.050 4.936 -6.379 1.00 1.07 H new ATOM 0 HG3 MET A 1 -17.716 4.101 -7.150 1.00 1.07 H new ATOM 0 HE1 MET A 1 -17.637 7.936 -4.670 1.00 1.32 H new ATOM 0 HE2 MET A 1 -17.845 8.264 -6.407 1.00 1.32 H new ATOM 0 HE3 MET A 1 -19.013 7.229 -5.551 1.00 1.32 H new ATOM 20 N GLN A 2 -16.825 3.912 -9.878 1.00 0.93 N ATOM 21 CA GLN A 2 -15.791 2.911 -10.056 1.00 0.89 C ATOM 22 C GLN A 2 -14.484 3.411 -9.458 1.00 0.85 C ATOM 23 O GLN A 2 -13.924 4.412 -9.913 1.00 0.93 O ATOM 24 CB GLN A 2 -15.619 2.599 -11.539 1.00 0.94 C ATOM 25 CG GLN A 2 -14.913 1.287 -11.814 1.00 1.18 C ATOM 26 CD GLN A 2 -14.912 0.944 -13.286 1.00 1.18 C ATOM 27 OE1 GLN A 2 -14.029 1.371 -14.027 1.00 1.35 O ATOM 28 NE2 GLN A 2 -15.901 0.181 -13.721 1.00 1.61 N ATOM 0 H GLN A 2 -16.523 4.867 -10.071 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.082 1.995 -9.542 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -16.601 2.578 -12.012 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -15.057 3.407 -12.007 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -13.886 1.345 -11.454 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -15.401 0.488 -11.256 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -16.613 -0.151 -13.070 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -15.952 -0.075 -14.707 1.00 1.61 H new ATOM 37 N ILE A 3 -14.008 2.718 -8.438 1.00 0.76 N ATOM 38 CA ILE A 3 -12.781 3.099 -7.757 1.00 0.72 C ATOM 39 C ILE A 3 -11.633 2.167 -8.122 1.00 0.68 C ATOM 40 O ILE A 3 -11.851 1.058 -8.618 1.00 0.66 O ATOM 41 CB ILE A 3 -12.968 3.102 -6.225 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.565 1.768 -5.752 1.00 0.60 C ATOM 43 CG2 ILE A 3 -13.852 4.270 -5.805 1.00 0.85 C ATOM 44 CD1 ILE A 3 -13.722 1.667 -4.247 1.00 0.78 C ATOM 0 H ILE A 3 -14.456 1.883 -8.061 1.00 0.76 H new ATOM 0 HA ILE A 3 -12.536 4.109 -8.087 1.00 0.72 H new ATOM 0 HB ILE A 3 -11.992 3.222 -5.754 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -14.540 1.631 -6.220 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.929 0.953 -6.097 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -13.976 4.261 -4.722 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -13.386 5.207 -6.109 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -14.827 4.178 -6.283 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.149 0.698 -3.990 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -12.747 1.771 -3.772 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -14.383 2.459 -3.896 1.00 0.78 H new ATOM 56 N PHE A 4 -10.413 2.626 -7.880 1.00 0.68 N ATOM 57 CA PHE A 4 -9.229 1.837 -8.173 1.00 0.66 C ATOM 58 C PHE A 4 -8.470 1.539 -6.889 1.00 0.61 C ATOM 59 O PHE A 4 -7.941 2.441 -6.240 1.00 0.70 O ATOM 60 CB PHE A 4 -8.328 2.571 -9.171 1.00 0.73 C ATOM 61 CG PHE A 4 -8.982 2.789 -10.507 1.00 0.82 C ATOM 62 CD1 PHE A 4 -9.417 1.713 -11.263 1.00 1.03 C ATOM 63 CD2 PHE A 4 -9.167 4.070 -11.001 1.00 0.88 C ATOM 64 CE1 PHE A 4 -10.026 1.910 -12.486 1.00 1.12 C ATOM 65 CE2 PHE A 4 -9.777 4.271 -12.225 1.00 0.96 C ATOM 66 CZ PHE A 4 -10.204 3.190 -12.969 1.00 1.00 C ATOM 0 H PHE A 4 -10.219 3.544 -7.480 1.00 0.68 H new ATOM 0 HA PHE A 4 -9.540 0.894 -8.623 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.042 3.536 -8.752 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -7.410 2.000 -9.311 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -9.278 0.709 -10.891 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -8.832 4.919 -10.424 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -10.363 1.063 -13.064 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -9.919 5.274 -12.599 1.00 0.96 H new ATOM 0 HZ PHE A 4 -10.677 3.346 -13.928 1.00 1.00 H new ATOM 76 N VAL A 5 -8.436 0.271 -6.514 1.00 0.53 N ATOM 77 CA VAL A 5 -7.752 -0.134 -5.301 1.00 0.51 C ATOM 78 C VAL A 5 -6.356 -0.668 -5.619 1.00 0.51 C ATOM 79 O VAL A 5 -6.188 -1.584 -6.427 1.00 0.53 O ATOM 80 CB VAL A 5 -8.579 -1.175 -4.509 1.00 0.51 C ATOM 81 CG1 VAL A 5 -8.895 -2.399 -5.358 1.00 0.56 C ATOM 82 CG2 VAL A 5 -7.862 -1.573 -3.229 1.00 0.54 C ATOM 0 H VAL A 5 -8.873 -0.492 -7.031 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.642 0.747 -4.669 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.527 -0.709 -4.239 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -9.477 -3.109 -4.770 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -9.469 -2.096 -6.233 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -7.965 -2.869 -5.679 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.462 -2.305 -2.689 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -6.893 -2.008 -3.475 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.716 -0.692 -2.604 1.00 0.54 H new ATOM 92 N LYS A 6 -5.356 -0.061 -4.996 1.00 0.54 N ATOM 93 CA LYS A 6 -3.975 -0.455 -5.201 1.00 0.58 C ATOM 94 C LYS A 6 -3.554 -1.476 -4.151 1.00 0.56 C ATOM 95 O LYS A 6 -3.551 -1.188 -2.951 1.00 0.51 O ATOM 96 CB LYS A 6 -3.062 0.775 -5.144 1.00 0.63 C ATOM 97 CG LYS A 6 -1.681 0.544 -5.740 1.00 1.21 C ATOM 98 CD LYS A 6 -0.847 1.817 -5.747 1.00 1.17 C ATOM 99 CE LYS A 6 -1.534 2.934 -6.520 1.00 1.38 C ATOM 100 NZ LYS A 6 -0.607 4.052 -6.829 1.00 1.38 N ATOM 0 H LYS A 6 -5.480 0.711 -4.341 1.00 0.54 H new ATOM 0 HA LYS A 6 -3.884 -0.914 -6.186 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.543 1.597 -5.674 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -2.952 1.086 -4.105 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -1.163 -0.226 -5.169 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -1.783 0.171 -6.759 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -0.668 2.141 -4.722 1.00 1.17 H new ATOM 0 HD3 LYS A 6 0.127 1.612 -6.192 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -1.941 2.534 -7.449 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -2.376 3.312 -5.939 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -1.155 4.891 -7.105 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.037 4.273 -5.988 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.021 3.776 -7.611 1.00 1.38 H new ATOM 114 N THR A 7 -3.212 -2.664 -4.615 1.00 0.61 N ATOM 115 CA THR A 7 -2.790 -3.747 -3.746 1.00 0.62 C ATOM 116 C THR A 7 -1.345 -3.549 -3.298 1.00 0.63 C ATOM 117 O THR A 7 -0.595 -2.792 -3.914 1.00 0.74 O ATOM 118 CB THR A 7 -2.927 -5.098 -4.476 1.00 0.69 C ATOM 119 OG1 THR A 7 -4.091 -5.073 -5.308 1.00 1.05 O ATOM 120 CG2 THR A 7 -3.031 -6.257 -3.494 1.00 0.90 C ATOM 0 H THR A 7 -3.219 -2.905 -5.606 1.00 0.61 H new ATOM 0 HA THR A 7 -3.432 -3.747 -2.865 1.00 0.62 H new ATOM 0 HB THR A 7 -2.033 -5.247 -5.081 1.00 0.69 H new ATOM 0 HG1 THR A 7 -3.902 -4.558 -6.120 1.00 1.05 H new ATOM 0 HG21 THR A 7 -3.126 -7.193 -4.045 1.00 0.90 H new ATOM 0 HG22 THR A 7 -2.135 -6.290 -2.874 1.00 0.90 H new ATOM 0 HG23 THR A 7 -3.906 -6.119 -2.859 1.00 0.90 H new ATOM 128 N LEU A 8 -0.972 -4.239 -2.227 1.00 0.62 N ATOM 129 CA LEU A 8 0.374 -4.165 -1.667 1.00 0.65 C ATOM 130 C LEU A 8 1.449 -4.479 -2.710 1.00 0.67 C ATOM 131 O LEU A 8 2.516 -3.876 -2.708 1.00 0.73 O ATOM 132 CB LEU A 8 0.494 -5.143 -0.499 1.00 0.72 C ATOM 133 CG LEU A 8 1.866 -5.200 0.163 1.00 0.84 C ATOM 134 CD1 LEU A 8 2.075 -3.981 1.043 1.00 1.54 C ATOM 135 CD2 LEU A 8 2.014 -6.483 0.962 1.00 0.94 C ATOM 0 H LEU A 8 -1.595 -4.868 -1.720 1.00 0.62 H new ATOM 0 HA LEU A 8 0.535 -3.143 -1.324 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.245 -4.874 0.256 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.238 -6.141 -0.854 1.00 0.72 H new ATOM 0 HG LEU A 8 2.633 -5.195 -0.612 1.00 0.84 H new ATOM 0 HD11 LEU A 8 3.058 -4.034 1.510 1.00 1.54 H new ATOM 0 HD12 LEU A 8 2.010 -3.078 0.436 1.00 1.54 H new ATOM 0 HD13 LEU A 8 1.307 -3.954 1.816 1.00 1.54 H new ATOM 0 HD21 LEU A 8 2.999 -6.509 1.429 1.00 0.94 H new ATOM 0 HD22 LEU A 8 1.245 -6.522 1.734 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.904 -7.340 0.298 1.00 0.94 H new ATOM 147 N THR A 9 1.154 -5.411 -3.608 1.00 0.67 N ATOM 148 CA THR A 9 2.107 -5.801 -4.642 1.00 0.74 C ATOM 149 C THR A 9 2.074 -4.837 -5.839 1.00 0.75 C ATOM 150 O THR A 9 2.684 -5.096 -6.875 1.00 0.90 O ATOM 151 CB THR A 9 1.849 -7.254 -5.113 1.00 0.80 C ATOM 152 OG1 THR A 9 2.803 -7.649 -6.109 1.00 1.26 O ATOM 153 CG2 THR A 9 0.443 -7.407 -5.671 1.00 0.91 C ATOM 0 H THR A 9 0.265 -5.910 -3.642 1.00 0.67 H new ATOM 0 HA THR A 9 3.102 -5.749 -4.199 1.00 0.74 H new ATOM 0 HB THR A 9 1.956 -7.900 -4.242 1.00 0.80 H new ATOM 0 HG1 THR A 9 3.024 -6.879 -6.674 1.00 1.26 H new ATOM 0 HG21 THR A 9 0.290 -8.437 -5.994 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.284 -7.157 -4.899 1.00 0.91 H new ATOM 0 HG23 THR A 9 0.314 -6.737 -6.521 1.00 0.91 H new ATOM 161 N GLY A 10 1.364 -3.724 -5.692 1.00 0.71 N ATOM 162 CA GLY A 10 1.286 -2.747 -6.763 1.00 0.75 C ATOM 163 C GLY A 10 0.163 -3.024 -7.745 1.00 0.76 C ATOM 164 O GLY A 10 -0.094 -2.225 -8.647 1.00 0.89 O ATOM 0 H GLY A 10 0.841 -3.481 -4.851 1.00 0.71 H new ATOM 0 HA2 GLY A 10 1.147 -1.756 -6.332 1.00 0.75 H new ATOM 0 HA3 GLY A 10 2.234 -2.730 -7.301 1.00 0.75 H new ATOM 168 N LYS A 11 -0.511 -4.153 -7.563 1.00 0.82 N ATOM 169 CA LYS A 11 -1.611 -4.547 -8.436 1.00 0.85 C ATOM 170 C LYS A 11 -2.781 -3.578 -8.297 1.00 0.77 C ATOM 171 O LYS A 11 -3.104 -3.144 -7.196 1.00 0.78 O ATOM 172 CB LYS A 11 -2.059 -5.971 -8.093 1.00 0.90 C ATOM 173 CG LYS A 11 -2.828 -6.664 -9.205 1.00 0.96 C ATOM 174 CD LYS A 11 -3.072 -8.131 -8.877 1.00 1.09 C ATOM 175 CE LYS A 11 -4.447 -8.360 -8.260 1.00 1.43 C ATOM 176 NZ LYS A 11 -5.403 -8.958 -9.231 1.00 1.63 N ATOM 0 H LYS A 11 -0.314 -4.816 -6.814 1.00 0.82 H new ATOM 0 HA LYS A 11 -1.266 -4.519 -9.469 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.180 -6.567 -7.847 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -2.683 -5.939 -7.200 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -3.782 -6.160 -9.359 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -2.271 -6.585 -10.139 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -2.980 -8.725 -9.786 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -2.303 -8.481 -8.188 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -4.351 -9.016 -7.395 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -4.844 -7.412 -7.898 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -6.338 -9.050 -8.786 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -5.477 -8.345 -10.068 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -5.063 -9.898 -9.519 1.00 1.63 H new ATOM 190 N THR A 12 -3.393 -3.222 -9.411 1.00 0.85 N ATOM 191 CA THR A 12 -4.529 -2.314 -9.391 1.00 0.80 C ATOM 192 C THR A 12 -5.797 -3.054 -9.803 1.00 0.81 C ATOM 193 O THR A 12 -5.912 -3.524 -10.936 1.00 0.91 O ATOM 194 CB THR A 12 -4.300 -1.106 -10.318 1.00 0.85 C ATOM 195 OG1 THR A 12 -2.984 -0.579 -10.105 1.00 0.90 O ATOM 196 CG2 THR A 12 -5.333 -0.018 -10.060 1.00 0.84 C ATOM 0 H THR A 12 -3.125 -3.546 -10.340 1.00 0.85 H new ATOM 0 HA THR A 12 -4.642 -1.941 -8.373 1.00 0.80 H new ATOM 0 HB THR A 12 -4.402 -1.440 -11.350 1.00 0.85 H new ATOM 0 HG1 THR A 12 -2.839 0.189 -10.697 1.00 0.90 H new ATOM 0 HG21 THR A 12 -5.149 0.824 -10.727 1.00 0.84 H new ATOM 0 HG22 THR A 12 -6.332 -0.414 -10.242 1.00 0.84 H new ATOM 0 HG23 THR A 12 -5.259 0.316 -9.025 1.00 0.84 H new ATOM 204 N ILE A 13 -6.737 -3.164 -8.876 1.00 0.72 N ATOM 205 CA ILE A 13 -7.984 -3.867 -9.138 1.00 0.74 C ATOM 206 C ILE A 13 -9.122 -2.890 -9.417 1.00 0.71 C ATOM 207 O ILE A 13 -9.238 -1.848 -8.765 1.00 0.64 O ATOM 208 CB ILE A 13 -8.369 -4.777 -7.950 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.165 -5.607 -7.499 1.00 0.74 C ATOM 210 CG2 ILE A 13 -9.524 -5.692 -8.329 1.00 0.80 C ATOM 211 CD1 ILE A 13 -7.305 -6.174 -6.101 1.00 0.85 C ATOM 0 H ILE A 13 -6.660 -2.776 -7.936 1.00 0.72 H new ATOM 0 HA ILE A 13 -7.824 -4.484 -10.022 1.00 0.74 H new ATOM 0 HB ILE A 13 -8.686 -4.142 -7.122 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.017 -6.428 -8.201 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -6.270 -4.986 -7.542 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -9.781 -6.325 -7.480 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -10.389 -5.090 -8.607 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.231 -6.318 -9.172 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.414 -6.750 -5.851 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -7.422 -5.358 -5.388 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.180 -6.822 -6.057 1.00 0.85 H new ATOM 223 N THR A 14 -9.947 -3.232 -10.397 1.00 0.80 N ATOM 224 CA THR A 14 -11.082 -2.407 -10.776 1.00 0.81 C ATOM 225 C THR A 14 -12.310 -2.791 -9.955 1.00 0.78 C ATOM 226 O THR A 14 -12.821 -3.907 -10.076 1.00 0.83 O ATOM 227 CB THR A 14 -11.398 -2.573 -12.276 1.00 0.94 C ATOM 228 OG1 THR A 14 -10.177 -2.604 -13.028 1.00 1.01 O ATOM 229 CG2 THR A 14 -12.279 -1.439 -12.778 1.00 1.07 C ATOM 0 H THR A 14 -9.848 -4.085 -10.948 1.00 0.80 H new ATOM 0 HA THR A 14 -10.825 -1.366 -10.580 1.00 0.81 H new ATOM 0 HB THR A 14 -11.936 -3.511 -12.410 1.00 0.94 H new ATOM 0 HG1 THR A 14 -10.382 -2.711 -13.980 1.00 1.01 H new ATOM 0 HG21 THR A 14 -12.486 -1.581 -13.839 1.00 1.07 H new ATOM 0 HG22 THR A 14 -13.217 -1.434 -12.223 1.00 1.07 H new ATOM 0 HG23 THR A 14 -11.766 -0.488 -12.633 1.00 1.07 H new ATOM 237 N LEU A 15 -12.782 -1.876 -9.120 1.00 0.74 N ATOM 238 CA LEU A 15 -13.937 -2.153 -8.280 1.00 0.75 C ATOM 239 C LEU A 15 -15.068 -1.172 -8.553 1.00 0.79 C ATOM 240 O LEU A 15 -14.941 0.031 -8.316 1.00 0.81 O ATOM 241 CB LEU A 15 -13.545 -2.109 -6.799 1.00 0.74 C ATOM 242 CG LEU A 15 -13.700 -3.433 -6.038 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.159 -3.860 -5.997 1.00 0.97 C ATOM 244 CD2 LEU A 15 -12.840 -4.522 -6.668 1.00 0.93 C ATOM 0 H LEU A 15 -12.386 -0.943 -9.007 1.00 0.74 H new ATOM 0 HA LEU A 15 -14.292 -3.154 -8.523 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -12.507 -1.786 -6.725 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -14.151 -1.351 -6.303 1.00 0.74 H new ATOM 0 HG LEU A 15 -13.359 -3.279 -5.014 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -15.248 -4.801 -5.453 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -15.749 -3.093 -5.494 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.528 -3.993 -7.014 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -12.965 -5.451 -6.113 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -13.146 -4.674 -7.703 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -11.793 -4.221 -6.639 1.00 0.93 H new ATOM 256 N GLU A 16 -16.170 -1.694 -9.070 1.00 0.84 N ATOM 257 CA GLU A 16 -17.332 -0.876 -9.361 1.00 0.90 C ATOM 258 C GLU A 16 -18.398 -1.073 -8.283 1.00 0.83 C ATOM 259 O GLU A 16 -18.806 -2.197 -7.993 1.00 0.87 O ATOM 260 CB GLU A 16 -17.889 -1.189 -10.763 1.00 1.04 C ATOM 261 CG GLU A 16 -18.631 -2.516 -10.893 1.00 1.10 C ATOM 262 CD GLU A 16 -17.745 -3.730 -10.697 1.00 1.18 C ATOM 263 OE1 GLU A 16 -16.620 -3.749 -11.235 1.00 1.26 O ATOM 264 OE2 GLU A 16 -18.172 -4.675 -10.002 1.00 1.26 O ATOM 0 H GLU A 16 -16.282 -2.682 -9.296 1.00 0.84 H new ATOM 0 HA GLU A 16 -17.031 0.172 -9.356 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -18.564 -0.385 -11.055 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -17.062 -1.184 -11.473 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -19.438 -2.544 -10.161 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -19.093 -2.569 -11.879 1.00 1.10 H new ATOM 271 N VAL A 17 -18.815 0.023 -7.669 1.00 0.79 N ATOM 272 CA VAL A 17 -19.820 -0.016 -6.614 1.00 0.77 C ATOM 273 C VAL A 17 -20.612 1.282 -6.586 1.00 0.78 C ATOM 274 O VAL A 17 -20.112 2.335 -6.993 1.00 0.77 O ATOM 275 CB VAL A 17 -19.197 -0.252 -5.216 1.00 0.73 C ATOM 276 CG1 VAL A 17 -19.046 -1.740 -4.936 1.00 0.76 C ATOM 277 CG2 VAL A 17 -17.856 0.462 -5.089 1.00 0.71 C ATOM 0 H VAL A 17 -18.471 0.959 -7.884 1.00 0.79 H new ATOM 0 HA VAL A 17 -20.478 -0.855 -6.841 1.00 0.77 H new ATOM 0 HB VAL A 17 -19.873 0.167 -4.471 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.606 -1.882 -3.949 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.025 -2.218 -4.969 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -18.398 -2.188 -5.689 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.440 0.280 -4.098 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.169 0.084 -5.846 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -17.999 1.533 -5.232 1.00 0.71 H new ATOM 287 N GLU A 18 -21.840 1.213 -6.106 1.00 0.86 N ATOM 288 CA GLU A 18 -22.697 2.385 -6.038 1.00 0.91 C ATOM 289 C GLU A 18 -22.470 3.150 -4.737 1.00 0.89 C ATOM 290 O GLU A 18 -22.141 2.557 -3.711 1.00 0.85 O ATOM 291 CB GLU A 18 -24.163 1.973 -6.169 1.00 1.00 C ATOM 292 CG GLU A 18 -24.580 1.716 -7.606 1.00 1.11 C ATOM 293 CD GLU A 18 -24.278 2.894 -8.510 1.00 1.10 C ATOM 294 OE1 GLU A 18 -25.098 3.833 -8.558 1.00 1.29 O ATOM 295 OE2 GLU A 18 -23.215 2.893 -9.169 1.00 1.46 O ATOM 0 H GLU A 18 -22.268 0.356 -5.756 1.00 0.86 H new ATOM 0 HA GLU A 18 -22.443 3.046 -6.866 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.336 1.073 -5.580 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -24.794 2.756 -5.748 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.063 0.832 -7.980 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -25.648 1.499 -7.639 1.00 1.11 H new ATOM 302 N PRO A 19 -22.644 4.485 -4.767 1.00 0.95 N ATOM 303 CA PRO A 19 -22.459 5.338 -3.584 1.00 0.99 C ATOM 304 C PRO A 19 -23.455 5.011 -2.475 1.00 1.05 C ATOM 305 O PRO A 19 -23.225 5.315 -1.303 1.00 1.09 O ATOM 306 CB PRO A 19 -22.695 6.757 -4.121 1.00 1.08 C ATOM 307 CG PRO A 19 -23.497 6.566 -5.361 1.00 1.07 C ATOM 308 CD PRO A 19 -23.031 5.268 -5.952 1.00 1.04 C ATOM 0 HA PRO A 19 -21.476 5.201 -3.133 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -23.229 7.371 -3.395 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -21.752 7.261 -4.333 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -24.563 6.533 -5.136 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -23.343 7.390 -6.057 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -23.821 4.777 -6.520 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -22.192 5.412 -6.632 1.00 1.04 H new ATOM 316 N SER A 20 -24.554 4.372 -2.859 1.00 1.11 N ATOM 317 CA SER A 20 -25.605 3.995 -1.931 1.00 1.22 C ATOM 318 C SER A 20 -25.283 2.676 -1.234 1.00 1.11 C ATOM 319 O SER A 20 -26.061 2.190 -0.406 1.00 1.16 O ATOM 320 CB SER A 20 -26.922 3.870 -2.699 1.00 1.42 C ATOM 321 OG SER A 20 -26.689 3.391 -4.017 1.00 1.61 O ATOM 0 H SER A 20 -24.738 4.102 -3.825 1.00 1.11 H new ATOM 0 HA SER A 20 -25.688 4.764 -1.163 1.00 1.22 H new ATOM 0 HB2 SER A 20 -27.593 3.191 -2.173 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.418 4.840 -2.741 1.00 1.42 H new ATOM 0 HG SER A 20 -27.542 3.316 -4.493 1.00 1.61 H new ATOM 327 N ASP A 21 -24.135 2.097 -1.561 1.00 0.99 N ATOM 328 CA ASP A 21 -23.740 0.833 -0.971 1.00 0.91 C ATOM 329 C ASP A 21 -22.751 1.041 0.160 1.00 0.86 C ATOM 330 O ASP A 21 -22.044 2.051 0.214 1.00 0.89 O ATOM 331 CB ASP A 21 -23.146 -0.099 -2.025 1.00 0.87 C ATOM 332 CG ASP A 21 -23.740 -1.491 -1.950 1.00 0.92 C ATOM 333 OD1 ASP A 21 -24.305 -1.846 -0.889 1.00 1.32 O ATOM 334 OD2 ASP A 21 -23.654 -2.233 -2.951 1.00 1.09 O ATOM 0 H ASP A 21 -23.467 2.483 -2.228 1.00 0.99 H new ATOM 0 HA ASP A 21 -24.636 0.368 -0.561 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -23.321 0.317 -3.017 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -22.066 -0.158 -1.890 1.00 0.87 H new ATOM 339 N THR A 22 -22.711 0.078 1.063 1.00 0.83 N ATOM 340 CA THR A 22 -21.825 0.130 2.206 1.00 0.82 C ATOM 341 C THR A 22 -20.490 -0.528 1.874 1.00 0.76 C ATOM 342 O THR A 22 -20.422 -1.399 1.002 1.00 0.75 O ATOM 343 CB THR A 22 -22.465 -0.579 3.410 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.368 -1.595 2.945 1.00 1.00 O ATOM 345 CG2 THR A 22 -23.213 0.415 4.287 1.00 1.13 C ATOM 0 H THR A 22 -23.292 -0.760 1.023 1.00 0.83 H new ATOM 0 HA THR A 22 -21.652 1.176 2.458 1.00 0.82 H new ATOM 0 HB THR A 22 -21.675 -1.036 4.006 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.360 -2.351 3.569 1.00 1.00 H new ATOM 0 HG21 THR A 22 -23.658 -0.109 5.133 1.00 1.13 H new ATOM 0 HG22 THR A 22 -22.519 1.171 4.653 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.999 0.895 3.704 1.00 1.13 H new ATOM 353 N ILE A 23 -19.435 -0.120 2.578 1.00 0.74 N ATOM 354 CA ILE A 23 -18.094 -0.661 2.360 1.00 0.69 C ATOM 355 C ILE A 23 -18.074 -2.186 2.503 1.00 0.67 C ATOM 356 O ILE A 23 -17.301 -2.871 1.831 1.00 0.63 O ATOM 357 CB ILE A 23 -17.069 -0.027 3.330 1.00 0.68 C ATOM 358 CG1 ILE A 23 -17.036 1.498 3.153 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.681 -0.618 3.118 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.604 1.954 1.772 1.00 0.69 C ATOM 0 H ILE A 23 -19.484 0.589 3.310 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.810 -0.407 1.339 1.00 0.69 H new ATOM 0 HB ILE A 23 -17.381 -0.253 4.350 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -18.028 1.898 3.362 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -16.358 1.924 3.893 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.979 -0.156 3.812 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.712 -1.693 3.296 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -15.357 -0.429 2.094 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.608 3.043 1.731 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.599 1.586 1.565 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -17.295 1.561 1.026 1.00 0.69 H new ATOM 372 N GLU A 24 -18.940 -2.714 3.364 1.00 0.71 N ATOM 373 CA GLU A 24 -19.029 -4.155 3.577 1.00 0.72 C ATOM 374 C GLU A 24 -19.373 -4.880 2.275 1.00 0.71 C ATOM 375 O GLU A 24 -18.807 -5.932 1.977 1.00 0.71 O ATOM 376 CB GLU A 24 -20.074 -4.480 4.645 1.00 0.80 C ATOM 377 CG GLU A 24 -21.243 -3.518 4.655 1.00 0.95 C ATOM 378 CD GLU A 24 -22.544 -4.192 5.022 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.666 -4.667 6.164 1.00 1.14 O ATOM 380 OE2 GLU A 24 -23.447 -4.246 4.161 1.00 1.64 O ATOM 0 H GLU A 24 -19.590 -2.165 3.926 1.00 0.71 H new ATOM 0 HA GLU A 24 -18.054 -4.501 3.921 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -20.447 -5.491 4.482 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -19.597 -4.470 5.625 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -21.042 -2.714 5.363 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -21.340 -3.059 3.671 1.00 0.95 H new ATOM 387 N ASN A 25 -20.285 -4.305 1.488 1.00 0.72 N ATOM 388 CA ASN A 25 -20.680 -4.914 0.221 1.00 0.73 C ATOM 389 C ASN A 25 -19.582 -4.714 -0.813 1.00 0.69 C ATOM 390 O ASN A 25 -19.408 -5.530 -1.717 1.00 0.70 O ATOM 391 CB ASN A 25 -22.000 -4.344 -0.298 1.00 0.79 C ATOM 392 CG ASN A 25 -22.702 -5.311 -1.237 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.600 -6.528 -1.083 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.421 -4.789 -2.211 1.00 0.97 N ATOM 0 H ASN A 25 -20.758 -3.428 1.704 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.829 -5.979 0.396 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.654 -4.116 0.544 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.811 -3.405 -0.818 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.913 -5.398 -2.864 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.485 -3.776 -2.311 1.00 0.97 H new ATOM 401 N VAL A 26 -18.842 -3.619 -0.673 1.00 0.65 N ATOM 402 CA VAL A 26 -17.734 -3.333 -1.576 1.00 0.62 C ATOM 403 C VAL A 26 -16.677 -4.415 -1.413 1.00 0.58 C ATOM 404 O VAL A 26 -16.149 -4.946 -2.389 1.00 0.57 O ATOM 405 CB VAL A 26 -17.098 -1.951 -1.290 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.992 -1.644 -2.291 1.00 0.59 C ATOM 407 CG2 VAL A 26 -18.156 -0.859 -1.305 1.00 0.63 C ATOM 0 H VAL A 26 -18.989 -2.918 0.054 1.00 0.65 H new ATOM 0 HA VAL A 26 -18.120 -3.317 -2.595 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.654 -1.982 -0.295 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.561 -0.668 -2.069 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.217 -2.407 -2.222 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.406 -1.637 -3.299 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.688 0.104 -1.102 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.635 -0.830 -2.284 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.904 -1.067 -0.540 1.00 0.63 H new ATOM 417 N LYS A 27 -16.399 -4.755 -0.159 1.00 0.57 N ATOM 418 CA LYS A 27 -15.426 -5.792 0.156 1.00 0.54 C ATOM 419 C LYS A 27 -15.963 -7.151 -0.278 1.00 0.55 C ATOM 420 O LYS A 27 -15.199 -8.056 -0.618 1.00 0.52 O ATOM 421 CB LYS A 27 -15.118 -5.805 1.654 1.00 0.59 C ATOM 422 CG LYS A 27 -14.621 -4.471 2.187 1.00 0.67 C ATOM 423 CD LYS A 27 -14.443 -4.505 3.698 1.00 0.82 C ATOM 424 CE LYS A 27 -12.981 -4.635 4.086 1.00 1.03 C ATOM 425 NZ LYS A 27 -12.806 -4.910 5.538 1.00 1.08 N ATOM 0 H LYS A 27 -16.835 -4.326 0.657 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.503 -5.580 -0.383 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -16.018 -6.091 2.198 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.367 -6.569 1.855 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.672 -4.220 1.713 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -15.328 -3.685 1.921 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -14.856 -3.596 4.134 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -15.006 -5.341 4.112 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -12.524 -5.438 3.508 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -12.455 -3.716 3.826 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -11.792 -4.940 5.766 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -13.263 -4.157 6.091 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -13.241 -5.825 5.773 1.00 1.08 H new ATOM 439 N ALA A 28 -17.289 -7.279 -0.275 1.00 0.63 N ATOM 440 CA ALA A 28 -17.944 -8.513 -0.681 1.00 0.68 C ATOM 441 C ALA A 28 -17.739 -8.747 -2.170 1.00 0.68 C ATOM 442 O ALA A 28 -17.631 -9.885 -2.622 1.00 0.75 O ATOM 443 CB ALA A 28 -19.427 -8.471 -0.347 1.00 0.75 C ATOM 0 H ALA A 28 -17.930 -6.537 0.006 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.497 -9.341 -0.131 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.897 -9.404 -0.659 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.554 -8.343 0.728 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.894 -7.637 -0.870 1.00 0.75 H new ATOM 449 N LYS A 29 -17.683 -7.662 -2.933 1.00 0.65 N ATOM 450 CA LYS A 29 -17.463 -7.756 -4.366 1.00 0.70 C ATOM 451 C LYS A 29 -16.044 -8.246 -4.641 1.00 0.67 C ATOM 452 O LYS A 29 -15.806 -9.024 -5.566 1.00 0.76 O ATOM 453 CB LYS A 29 -17.697 -6.403 -5.048 1.00 0.72 C ATOM 454 CG LYS A 29 -19.106 -6.229 -5.597 1.00 1.05 C ATOM 455 CD LYS A 29 -19.126 -5.261 -6.773 1.00 1.00 C ATOM 456 CE LYS A 29 -20.500 -5.187 -7.424 1.00 1.39 C ATOM 457 NZ LYS A 29 -20.485 -4.370 -8.667 1.00 1.23 N ATOM 0 H LYS A 29 -17.787 -6.710 -2.582 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.176 -8.470 -4.778 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -17.495 -5.606 -4.333 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -16.982 -6.289 -5.863 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -19.498 -7.196 -5.913 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -19.763 -5.861 -4.809 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -18.832 -4.269 -6.431 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.390 -5.574 -7.513 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -20.846 -6.194 -7.657 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.213 -4.760 -6.718 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -21.440 -4.346 -9.078 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.180 -3.401 -8.442 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -19.824 -4.791 -9.351 1.00 1.23 H new ATOM 471 N ILE A 30 -15.103 -7.808 -3.808 1.00 0.57 N ATOM 472 CA ILE A 30 -13.707 -8.205 -3.954 1.00 0.55 C ATOM 473 C ILE A 30 -13.539 -9.679 -3.602 1.00 0.61 C ATOM 474 O ILE A 30 -12.715 -10.379 -4.193 1.00 0.65 O ATOM 475 CB ILE A 30 -12.765 -7.359 -3.070 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.136 -5.875 -3.159 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.313 -7.571 -3.492 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.346 -4.988 -2.221 1.00 0.45 C ATOM 0 H ILE A 30 -15.283 -7.179 -3.026 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.434 -8.036 -4.996 1.00 0.55 H new ATOM 0 HB ILE A 30 -12.878 -7.681 -2.035 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -12.982 -5.533 -4.182 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.198 -5.762 -2.941 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.659 -6.969 -2.861 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.053 -8.624 -3.384 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.189 -7.272 -4.533 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -12.666 -3.953 -2.343 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.518 -5.302 -1.192 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.284 -5.069 -2.452 1.00 0.45 H new ATOM 490 N GLN A 31 -14.337 -10.153 -2.651 1.00 0.64 N ATOM 491 CA GLN A 31 -14.283 -11.550 -2.229 1.00 0.74 C ATOM 492 C GLN A 31 -14.788 -12.454 -3.350 1.00 0.81 C ATOM 493 O GLN A 31 -14.505 -13.652 -3.376 1.00 0.87 O ATOM 494 CB GLN A 31 -15.112 -11.764 -0.950 1.00 0.80 C ATOM 495 CG GLN A 31 -16.528 -12.270 -1.200 1.00 1.04 C ATOM 496 CD GLN A 31 -17.400 -12.237 0.036 1.00 1.06 C ATOM 497 OE1 GLN A 31 -16.924 -12.417 1.154 1.00 0.95 O ATOM 498 NE2 GLN A 31 -18.688 -11.996 -0.155 1.00 1.53 N ATOM 0 H GLN A 31 -15.030 -9.591 -2.157 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.247 -11.807 -2.009 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.592 -12.475 -0.308 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -15.166 -10.822 -0.404 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -16.991 -11.665 -1.979 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -16.481 -13.292 -1.576 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -19.045 -11.852 -1.099 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -19.323 -11.955 0.642 1.00 1.53 H new ATOM 507 N ASP A 32 -15.543 -11.869 -4.273 1.00 0.85 N ATOM 508 CA ASP A 32 -16.088 -12.604 -5.405 1.00 0.94 C ATOM 509 C ASP A 32 -15.170 -12.483 -6.619 1.00 0.97 C ATOM 510 O ASP A 32 -14.984 -13.441 -7.366 1.00 1.05 O ATOM 511 CB ASP A 32 -17.487 -12.085 -5.749 1.00 1.01 C ATOM 512 CG ASP A 32 -18.097 -12.805 -6.931 1.00 1.17 C ATOM 513 OD1 ASP A 32 -18.624 -13.923 -6.744 1.00 1.33 O ATOM 514 OD2 ASP A 32 -18.049 -12.260 -8.051 1.00 1.32 O ATOM 0 H ASP A 32 -15.792 -10.880 -4.257 1.00 0.85 H new ATOM 0 HA ASP A 32 -16.159 -13.656 -5.129 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.137 -12.201 -4.882 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -17.432 -11.018 -5.966 1.00 1.01 H new ATOM 519 N LYS A 33 -14.591 -11.302 -6.804 1.00 0.95 N ATOM 520 CA LYS A 33 -13.690 -11.057 -7.929 1.00 1.02 C ATOM 521 C LYS A 33 -12.323 -11.687 -7.690 1.00 0.98 C ATOM 522 O LYS A 33 -11.896 -12.571 -8.435 1.00 1.14 O ATOM 523 CB LYS A 33 -13.524 -9.556 -8.172 1.00 1.02 C ATOM 524 CG LYS A 33 -14.794 -8.861 -8.628 1.00 1.05 C ATOM 525 CD LYS A 33 -14.557 -7.384 -8.893 1.00 1.15 C ATOM 526 CE LYS A 33 -15.866 -6.615 -8.997 1.00 1.33 C ATOM 527 NZ LYS A 33 -16.595 -6.896 -10.261 1.00 1.55 N ATOM 0 H LYS A 33 -14.728 -10.498 -6.191 1.00 0.95 H new ATOM 0 HA LYS A 33 -14.137 -11.517 -8.810 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -13.175 -9.086 -7.253 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -12.749 -9.403 -8.923 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -15.166 -9.339 -9.534 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -15.566 -8.976 -7.867 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -13.950 -6.963 -8.091 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -13.991 -7.266 -9.817 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -16.502 -6.872 -8.150 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -15.662 -5.546 -8.930 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -17.406 -6.250 -10.345 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -15.956 -6.755 -11.069 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -16.934 -7.879 -10.255 1.00 1.55 H new ATOM 541 N GLU A 34 -11.644 -11.239 -6.643 1.00 0.84 N ATOM 542 CA GLU A 34 -10.321 -11.752 -6.317 1.00 0.82 C ATOM 543 C GLU A 34 -10.422 -12.975 -5.414 1.00 0.82 C ATOM 544 O GLU A 34 -9.676 -13.940 -5.572 1.00 1.08 O ATOM 545 CB GLU A 34 -9.485 -10.665 -5.636 1.00 0.75 C ATOM 546 CG GLU A 34 -9.335 -9.407 -6.471 1.00 1.08 C ATOM 547 CD GLU A 34 -8.654 -9.671 -7.798 1.00 1.63 C ATOM 548 OE1 GLU A 34 -7.417 -9.816 -7.815 1.00 1.88 O ATOM 549 OE2 GLU A 34 -9.354 -9.733 -8.831 1.00 2.06 O ATOM 0 H GLU A 34 -11.988 -10.521 -6.005 1.00 0.84 H new ATOM 0 HA GLU A 34 -9.832 -12.048 -7.245 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -9.946 -10.406 -4.683 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -8.496 -11.064 -5.413 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -10.319 -8.974 -6.651 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -8.760 -8.669 -5.911 1.00 1.08 H new ATOM 556 N GLY A 35 -11.352 -12.931 -4.473 1.00 0.96 N ATOM 557 CA GLY A 35 -11.533 -14.049 -3.567 1.00 0.98 C ATOM 558 C GLY A 35 -11.110 -13.723 -2.152 1.00 0.87 C ATOM 559 O GLY A 35 -11.348 -14.505 -1.231 1.00 1.01 O ATOM 0 H GLY A 35 -11.984 -12.145 -4.319 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -12.581 -14.348 -3.569 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -10.957 -14.901 -3.928 1.00 0.98 H new ATOM 563 N ILE A 36 -10.489 -12.564 -1.977 1.00 0.83 N ATOM 564 CA ILE A 36 -10.026 -12.134 -0.665 1.00 0.72 C ATOM 565 C ILE A 36 -11.209 -11.827 0.252 1.00 0.68 C ATOM 566 O ILE A 36 -12.045 -10.982 -0.076 1.00 0.71 O ATOM 567 CB ILE A 36 -9.127 -10.882 -0.767 1.00 0.70 C ATOM 568 CG1 ILE A 36 -8.065 -11.072 -1.858 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.467 -10.589 0.573 1.00 0.66 C ATOM 570 CD1 ILE A 36 -7.276 -9.815 -2.169 1.00 0.88 C ATOM 0 H ILE A 36 -10.294 -11.904 -2.729 1.00 0.83 H new ATOM 0 HA ILE A 36 -9.442 -12.953 -0.245 1.00 0.72 H new ATOM 0 HB ILE A 36 -9.751 -10.030 -1.037 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -7.374 -11.856 -1.547 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -8.552 -11.419 -2.769 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.837 -9.704 0.483 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -9.235 -10.413 1.326 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.855 -11.440 0.871 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -6.545 -10.028 -2.949 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -7.955 -9.034 -2.511 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -6.760 -9.478 -1.270 1.00 0.88 H new ATOM 582 N PRO A 37 -11.293 -12.516 1.408 1.00 0.70 N ATOM 583 CA PRO A 37 -12.378 -12.313 2.374 1.00 0.76 C ATOM 584 C PRO A 37 -12.389 -10.890 2.935 1.00 0.68 C ATOM 585 O PRO A 37 -11.337 -10.271 3.099 1.00 0.66 O ATOM 586 CB PRO A 37 -12.078 -13.328 3.481 1.00 0.91 C ATOM 587 CG PRO A 37 -10.633 -13.658 3.327 1.00 0.86 C ATOM 588 CD PRO A 37 -10.333 -13.539 1.862 1.00 0.75 C ATOM 0 HA PRO A 37 -13.359 -12.449 1.919 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -12.283 -12.909 4.466 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -12.698 -14.218 3.378 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -10.013 -12.975 3.908 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -10.423 -14.665 3.687 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -9.302 -13.232 1.685 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -10.477 -14.486 1.342 1.00 0.75 H new ATOM 596 N PRO A 38 -13.581 -10.364 3.255 1.00 0.67 N ATOM 597 CA PRO A 38 -13.738 -9.002 3.776 1.00 0.65 C ATOM 598 C PRO A 38 -13.220 -8.825 5.203 1.00 0.74 C ATOM 599 O PRO A 38 -12.951 -7.704 5.633 1.00 0.75 O ATOM 600 CB PRO A 38 -15.256 -8.783 3.728 1.00 0.70 C ATOM 601 CG PRO A 38 -15.839 -10.148 3.832 1.00 0.76 C ATOM 602 CD PRO A 38 -14.878 -11.063 3.130 1.00 0.73 C ATOM 0 HA PRO A 38 -13.158 -8.287 3.192 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -15.590 -8.146 4.547 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -15.556 -8.294 2.801 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -15.965 -10.440 4.875 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -16.825 -10.188 3.369 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -14.849 -12.048 3.595 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -15.155 -11.211 2.086 1.00 0.73 H new ATOM 610 N ASP A 39 -13.063 -9.927 5.925 1.00 0.85 N ATOM 611 CA ASP A 39 -12.595 -9.869 7.310 1.00 1.00 C ATOM 612 C ASP A 39 -11.097 -9.602 7.395 1.00 0.95 C ATOM 613 O ASP A 39 -10.649 -8.792 8.205 1.00 1.05 O ATOM 614 CB ASP A 39 -12.929 -11.162 8.064 1.00 1.20 C ATOM 615 CG ASP A 39 -12.897 -12.400 7.187 1.00 1.18 C ATOM 616 OD1 ASP A 39 -11.812 -12.771 6.694 1.00 1.57 O ATOM 617 OD2 ASP A 39 -13.967 -13.009 6.988 1.00 1.53 O ATOM 0 H ASP A 39 -13.251 -10.868 5.580 1.00 0.85 H new ATOM 0 HA ASP A 39 -13.119 -9.037 7.780 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -12.221 -11.289 8.883 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -13.919 -11.068 8.510 1.00 1.20 H new ATOM 622 N GLN A 40 -10.328 -10.278 6.557 1.00 0.91 N ATOM 623 CA GLN A 40 -8.879 -10.118 6.553 1.00 0.94 C ATOM 624 C GLN A 40 -8.439 -9.094 5.511 1.00 0.84 C ATOM 625 O GLN A 40 -7.248 -8.938 5.235 1.00 0.93 O ATOM 626 CB GLN A 40 -8.212 -11.466 6.296 1.00 1.05 C ATOM 627 CG GLN A 40 -8.480 -12.475 7.399 1.00 1.25 C ATOM 628 CD GLN A 40 -8.439 -13.904 6.906 1.00 1.38 C ATOM 629 OE1 GLN A 40 -7.382 -14.533 6.880 1.00 1.98 O ATOM 630 NE2 GLN A 40 -9.591 -14.427 6.522 1.00 1.60 N ATOM 0 H GLN A 40 -10.681 -10.944 5.870 1.00 0.91 H new ATOM 0 HA GLN A 40 -8.570 -9.747 7.530 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -8.569 -11.868 5.348 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -7.136 -11.321 6.196 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -7.741 -12.347 8.190 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -9.457 -12.275 7.839 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -10.443 -13.868 6.561 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -9.628 -15.390 6.187 1.00 1.60 H new ATOM 639 N GLN A 41 -9.409 -8.386 4.957 1.00 0.75 N ATOM 640 CA GLN A 41 -9.145 -7.374 3.950 1.00 0.70 C ATOM 641 C GLN A 41 -9.166 -5.986 4.581 1.00 0.60 C ATOM 642 O GLN A 41 -10.186 -5.553 5.113 1.00 0.68 O ATOM 643 CB GLN A 41 -10.188 -7.475 2.835 1.00 0.73 C ATOM 644 CG GLN A 41 -9.895 -6.601 1.629 1.00 0.74 C ATOM 645 CD GLN A 41 -10.362 -7.229 0.330 1.00 0.74 C ATOM 646 OE1 GLN A 41 -9.812 -6.958 -0.733 1.00 1.32 O ATOM 647 NE2 GLN A 41 -11.372 -8.082 0.409 1.00 0.87 N ATOM 0 H GLN A 41 -10.396 -8.496 5.191 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.156 -7.540 3.523 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -10.256 -8.513 2.510 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -11.163 -7.203 3.239 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -10.383 -5.635 1.758 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -8.823 -6.412 1.573 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -11.802 -8.281 1.312 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -11.719 -8.540 -0.433 1.00 0.87 H new ATOM 656 N ARG A 42 -8.039 -5.295 4.530 1.00 0.54 N ATOM 657 CA ARG A 42 -7.946 -3.961 5.103 1.00 0.55 C ATOM 658 C ARG A 42 -7.733 -2.915 4.016 1.00 0.47 C ATOM 659 O ARG A 42 -6.739 -2.952 3.286 1.00 0.51 O ATOM 660 CB ARG A 42 -6.810 -3.900 6.130 1.00 0.71 C ATOM 661 CG ARG A 42 -6.595 -2.514 6.722 1.00 0.83 C ATOM 662 CD ARG A 42 -5.413 -2.493 7.680 1.00 1.06 C ATOM 663 NE ARG A 42 -4.193 -3.006 7.059 1.00 0.88 N ATOM 664 CZ ARG A 42 -2.992 -2.974 7.637 1.00 0.94 C ATOM 665 NH1 ARG A 42 -2.834 -2.437 8.841 1.00 1.58 N ATOM 666 NH2 ARG A 42 -1.949 -3.491 7.007 1.00 1.55 N ATOM 0 H ARG A 42 -7.178 -5.633 4.100 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.887 -3.741 5.607 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.023 -4.601 6.937 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.886 -4.231 5.656 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -6.426 -1.797 5.919 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -7.496 -2.198 7.248 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -5.243 -1.472 8.023 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -5.650 -3.090 8.561 1.00 1.06 H new ATOM 0 HE ARG A 42 -4.265 -3.413 6.127 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -3.636 -2.044 9.333 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -1.911 -2.418 9.274 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -2.067 -3.911 6.085 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -1.027 -3.470 7.444 1.00 1.55 H new ATOM 680 N LEU A 43 -8.677 -1.990 3.913 1.00 0.47 N ATOM 681 CA LEU A 43 -8.606 -0.921 2.928 1.00 0.43 C ATOM 682 C LEU A 43 -8.262 0.393 3.615 1.00 0.47 C ATOM 683 O LEU A 43 -8.999 0.856 4.490 1.00 0.55 O ATOM 684 CB LEU A 43 -9.938 -0.788 2.184 1.00 0.44 C ATOM 685 CG LEU A 43 -10.366 -2.021 1.385 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.792 -1.863 0.884 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.417 -2.260 0.220 1.00 0.40 C ATOM 0 H LEU A 43 -9.507 -1.959 4.505 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.827 -1.164 2.205 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.719 -0.556 2.909 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -9.872 0.061 1.503 1.00 0.44 H new ATOM 0 HG LEU A 43 -10.326 -2.888 2.045 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -12.079 -2.749 0.318 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -12.465 -1.741 1.733 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -11.857 -0.985 0.241 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -9.738 -3.141 -0.336 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.425 -1.392 -0.439 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.408 -2.418 0.600 1.00 0.40 H new ATOM 699 N ILE A 44 -7.143 0.981 3.224 1.00 0.45 N ATOM 700 CA ILE A 44 -6.690 2.234 3.805 1.00 0.50 C ATOM 701 C ILE A 44 -7.048 3.410 2.905 1.00 0.52 C ATOM 702 O ILE A 44 -6.749 3.409 1.706 1.00 0.52 O ATOM 703 CB ILE A 44 -5.165 2.223 4.060 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.787 1.053 4.976 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.712 3.547 4.665 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.292 0.846 5.122 1.00 0.62 C ATOM 0 H ILE A 44 -6.528 0.607 2.501 1.00 0.45 H new ATOM 0 HA ILE A 44 -7.200 2.347 4.762 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.655 2.093 3.105 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.219 1.222 5.962 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.234 0.139 4.585 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.636 3.519 4.837 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.949 4.360 3.979 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -5.227 3.709 5.612 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.105 0.001 5.785 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.855 0.644 4.144 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -2.840 1.744 5.543 1.00 0.62 H new ATOM 718 N PHE A 45 -7.700 4.400 3.494 1.00 0.56 N ATOM 719 CA PHE A 45 -8.116 5.598 2.785 1.00 0.59 C ATOM 720 C PHE A 45 -7.618 6.841 3.519 1.00 0.68 C ATOM 721 O PHE A 45 -8.138 7.199 4.580 1.00 0.72 O ATOM 722 CB PHE A 45 -9.643 5.624 2.662 1.00 0.65 C ATOM 723 CG PHE A 45 -10.187 6.777 1.859 1.00 0.73 C ATOM 724 CD1 PHE A 45 -10.177 6.739 0.473 1.00 0.79 C ATOM 725 CD2 PHE A 45 -10.716 7.894 2.491 1.00 0.85 C ATOM 726 CE1 PHE A 45 -10.681 7.792 -0.267 1.00 0.92 C ATOM 727 CE2 PHE A 45 -11.221 8.949 1.755 1.00 0.96 C ATOM 728 CZ PHE A 45 -11.203 8.898 0.375 1.00 0.98 C ATOM 0 H PHE A 45 -7.956 4.394 4.481 1.00 0.56 H new ATOM 0 HA PHE A 45 -7.683 5.591 1.785 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.974 4.691 2.205 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -10.075 5.659 3.662 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -9.771 5.876 -0.034 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.733 7.939 3.570 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -10.667 7.750 -1.346 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -11.629 9.813 2.259 1.00 0.96 H new ATOM 0 HZ PHE A 45 -11.597 9.722 -0.202 1.00 0.98 H new ATOM 738 N ALA A 46 -6.581 7.463 2.961 1.00 0.79 N ATOM 739 CA ALA A 46 -5.986 8.677 3.522 1.00 0.95 C ATOM 740 C ALA A 46 -5.439 8.463 4.936 1.00 0.94 C ATOM 741 O ALA A 46 -5.286 9.415 5.700 1.00 1.10 O ATOM 742 CB ALA A 46 -6.994 9.819 3.502 1.00 1.05 C ATOM 0 H ALA A 46 -6.128 7.140 2.106 1.00 0.79 H new ATOM 0 HA ALA A 46 -5.136 8.939 2.892 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -6.537 10.715 3.922 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -7.301 10.016 2.475 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -7.867 9.545 4.095 1.00 1.05 H new ATOM 748 N GLY A 47 -5.142 7.216 5.283 1.00 0.93 N ATOM 749 CA GLY A 47 -4.607 6.924 6.600 1.00 0.93 C ATOM 750 C GLY A 47 -5.603 6.215 7.496 1.00 0.82 C ATOM 751 O GLY A 47 -5.221 5.504 8.423 1.00 0.91 O ATOM 0 H GLY A 47 -5.262 6.404 4.678 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.715 6.306 6.496 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -4.296 7.854 7.075 1.00 0.93 H new ATOM 755 N LYS A 48 -6.883 6.406 7.217 1.00 0.78 N ATOM 756 CA LYS A 48 -7.935 5.778 8.004 1.00 0.77 C ATOM 757 C LYS A 48 -8.459 4.551 7.274 1.00 0.68 C ATOM 758 O LYS A 48 -8.168 4.355 6.095 1.00 0.61 O ATOM 759 CB LYS A 48 -9.078 6.763 8.275 1.00 0.91 C ATOM 760 CG LYS A 48 -8.795 7.741 9.409 1.00 1.51 C ATOM 761 CD LYS A 48 -7.888 8.881 8.967 1.00 2.12 C ATOM 762 CE LYS A 48 -7.539 9.793 10.132 1.00 2.92 C ATOM 763 NZ LYS A 48 -6.757 10.978 9.698 1.00 3.57 N ATOM 0 H LYS A 48 -7.219 6.991 6.452 1.00 0.78 H new ATOM 0 HA LYS A 48 -7.517 5.474 8.964 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -9.282 7.327 7.365 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -9.981 6.200 8.511 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -9.736 8.149 9.779 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -8.330 7.209 10.239 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -6.974 8.474 8.534 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -8.381 9.459 8.185 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -8.456 10.123 10.621 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -6.967 9.233 10.872 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -6.541 11.572 10.523 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -5.870 10.665 9.255 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -7.312 11.528 9.011 1.00 3.57 H new ATOM 777 N GLN A 49 -9.218 3.719 7.966 1.00 0.77 N ATOM 778 CA GLN A 49 -9.762 2.522 7.346 1.00 0.74 C ATOM 779 C GLN A 49 -11.249 2.691 7.064 1.00 0.72 C ATOM 780 O GLN A 49 -11.963 3.357 7.816 1.00 0.78 O ATOM 781 CB GLN A 49 -9.518 1.290 8.224 1.00 0.80 C ATOM 782 CG GLN A 49 -10.156 1.370 9.604 1.00 1.06 C ATOM 783 CD GLN A 49 -9.971 0.092 10.401 1.00 1.51 C ATOM 784 OE1 GLN A 49 -9.913 -1.002 9.842 1.00 1.83 O ATOM 785 NE2 GLN A 49 -9.889 0.217 11.715 1.00 2.01 N ATOM 0 H GLN A 49 -9.470 3.847 8.946 1.00 0.77 H new ATOM 0 HA GLN A 49 -9.246 2.370 6.398 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -9.902 0.409 7.709 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -8.444 1.148 8.341 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -9.722 2.205 10.154 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -11.221 1.578 9.498 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -9.941 1.141 12.144 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -9.774 -0.611 12.300 1.00 2.01 H new ATOM 794 N LEU A 50 -11.698 2.097 5.971 1.00 0.68 N ATOM 795 CA LEU A 50 -13.098 2.167 5.585 1.00 0.68 C ATOM 796 C LEU A 50 -13.919 1.188 6.416 1.00 0.71 C ATOM 797 O LEU A 50 -13.762 -0.029 6.292 1.00 0.69 O ATOM 798 CB LEU A 50 -13.256 1.854 4.095 1.00 0.64 C ATOM 799 CG LEU A 50 -12.391 2.690 3.153 1.00 0.62 C ATOM 800 CD1 LEU A 50 -12.437 2.114 1.748 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.855 4.139 3.142 1.00 0.72 C ATOM 0 H LEU A 50 -11.111 1.559 5.333 1.00 0.68 H new ATOM 0 HA LEU A 50 -13.461 3.178 5.769 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -13.023 0.801 3.936 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -14.302 1.994 3.821 1.00 0.64 H new ATOM 0 HG LEU A 50 -11.363 2.660 3.513 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.817 2.719 1.086 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -12.062 1.091 1.762 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -13.465 2.119 1.386 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -12.226 4.717 2.465 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.891 4.187 2.805 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -12.781 4.552 4.148 1.00 0.72 H new ATOM 813 N GLU A 51 -14.779 1.720 7.276 1.00 0.76 N ATOM 814 CA GLU A 51 -15.612 0.881 8.126 1.00 0.79 C ATOM 815 C GLU A 51 -16.749 0.266 7.326 1.00 0.76 C ATOM 816 O GLU A 51 -17.135 0.785 6.282 1.00 0.77 O ATOM 817 CB GLU A 51 -16.194 1.681 9.288 1.00 0.88 C ATOM 818 CG GLU A 51 -15.189 2.562 10.004 1.00 0.94 C ATOM 819 CD GLU A 51 -15.788 3.216 11.224 1.00 1.04 C ATOM 820 OE1 GLU A 51 -16.606 4.144 11.069 1.00 1.33 O ATOM 821 OE2 GLU A 51 -15.463 2.787 12.349 1.00 1.25 O ATOM 0 H GLU A 51 -14.917 2.723 7.402 1.00 0.76 H new ATOM 0 HA GLU A 51 -14.977 0.089 8.523 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -17.005 2.305 8.914 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -16.631 0.989 10.008 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -14.326 1.964 10.298 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -14.827 3.330 9.321 1.00 0.94 H new ATOM 828 N ASP A 52 -17.296 -0.826 7.833 1.00 0.77 N ATOM 829 CA ASP A 52 -18.390 -1.518 7.168 1.00 0.77 C ATOM 830 C ASP A 52 -19.670 -0.685 7.212 1.00 0.82 C ATOM 831 O ASP A 52 -20.418 -0.628 6.235 1.00 0.81 O ATOM 832 CB ASP A 52 -18.625 -2.886 7.819 1.00 0.81 C ATOM 833 CG ASP A 52 -18.998 -2.783 9.284 1.00 1.32 C ATOM 834 OD1 ASP A 52 -18.161 -2.303 10.085 1.00 1.87 O ATOM 835 OD2 ASP A 52 -20.128 -3.167 9.640 1.00 1.66 O ATOM 0 H ASP A 52 -16.999 -1.256 8.709 1.00 0.77 H new ATOM 0 HA ASP A 52 -18.115 -1.665 6.124 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -19.418 -3.407 7.283 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -17.723 -3.490 7.720 1.00 0.81 H new ATOM 840 N GLY A 53 -19.900 -0.012 8.337 1.00 0.93 N ATOM 841 CA GLY A 53 -21.085 0.813 8.498 1.00 1.01 C ATOM 842 C GLY A 53 -20.897 2.214 7.947 1.00 0.95 C ATOM 843 O GLY A 53 -21.392 3.192 8.513 1.00 1.04 O ATOM 0 H GLY A 53 -19.280 -0.024 9.147 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -21.926 0.337 7.993 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -21.341 0.873 9.556 1.00 1.01 H new ATOM 847 N ARG A 54 -20.165 2.307 6.851 1.00 0.92 N ATOM 848 CA ARG A 54 -19.904 3.580 6.201 1.00 0.87 C ATOM 849 C ARG A 54 -20.183 3.455 4.711 1.00 0.83 C ATOM 850 O ARG A 54 -20.118 2.359 4.148 1.00 0.82 O ATOM 851 CB ARG A 54 -18.453 4.013 6.425 1.00 0.87 C ATOM 852 CG ARG A 54 -18.087 4.260 7.880 1.00 0.92 C ATOM 853 CD ARG A 54 -18.390 5.687 8.303 1.00 1.02 C ATOM 854 NE ARG A 54 -17.818 6.000 9.609 1.00 1.23 N ATOM 855 CZ ARG A 54 -17.749 7.228 10.120 1.00 1.64 C ATOM 856 NH1 ARG A 54 -18.185 8.273 9.427 1.00 1.89 N ATOM 857 NH2 ARG A 54 -17.227 7.417 11.326 1.00 1.95 N ATOM 0 H ARG A 54 -19.736 1.506 6.388 1.00 0.92 H new ATOM 0 HA ARG A 54 -20.559 4.336 6.633 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -17.792 3.246 6.022 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -18.267 4.924 5.857 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -18.638 3.567 8.516 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -17.027 4.054 8.028 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.995 6.378 7.558 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -19.469 5.835 8.334 1.00 1.02 H new ATOM 0 HE ARG A 54 -17.448 5.230 10.165 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -18.577 8.139 8.495 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -18.128 9.210 9.827 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -16.879 6.622 11.861 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -17.174 8.358 11.717 1.00 1.95 H new ATOM 871 N THR A 55 -20.500 4.567 4.074 1.00 0.84 N ATOM 872 CA THR A 55 -20.781 4.560 2.650 1.00 0.82 C ATOM 873 C THR A 55 -19.707 5.329 1.888 1.00 0.80 C ATOM 874 O THR A 55 -18.869 6.001 2.494 1.00 0.83 O ATOM 875 CB THR A 55 -22.163 5.166 2.352 1.00 0.89 C ATOM 876 OG1 THR A 55 -22.335 6.379 3.097 1.00 1.07 O ATOM 877 CG2 THR A 55 -23.273 4.189 2.706 1.00 0.85 C ATOM 0 H THR A 55 -20.569 5.483 4.517 1.00 0.84 H new ATOM 0 HA THR A 55 -20.780 3.521 2.319 1.00 0.82 H new ATOM 0 HB THR A 55 -22.218 5.381 1.285 1.00 0.89 H new ATOM 0 HG1 THR A 55 -23.216 6.761 2.902 1.00 1.07 H new ATOM 0 HG21 THR A 55 -24.240 4.642 2.486 1.00 0.85 H new ATOM 0 HG22 THR A 55 -23.157 3.278 2.119 1.00 0.85 H new ATOM 0 HG23 THR A 55 -23.219 3.946 3.767 1.00 0.85 H new ATOM 885 N LEU A 56 -19.731 5.235 0.569 1.00 0.78 N ATOM 886 CA LEU A 56 -18.751 5.926 -0.260 1.00 0.77 C ATOM 887 C LEU A 56 -18.940 7.440 -0.170 1.00 0.83 C ATOM 888 O LEU A 56 -17.971 8.204 -0.199 1.00 0.88 O ATOM 889 CB LEU A 56 -18.858 5.458 -1.715 1.00 0.77 C ATOM 890 CG LEU A 56 -18.287 4.064 -2.003 1.00 0.73 C ATOM 891 CD1 LEU A 56 -19.191 2.974 -1.445 1.00 0.91 C ATOM 892 CD2 LEU A 56 -18.095 3.871 -3.496 1.00 1.12 C ATOM 0 H LEU A 56 -20.416 4.688 0.048 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.755 5.683 0.111 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.908 5.469 -2.006 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -18.344 6.180 -2.350 1.00 0.77 H new ATOM 0 HG LEU A 56 -17.319 3.988 -1.508 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.761 1.997 -1.664 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.284 3.096 -0.366 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -20.177 3.048 -1.905 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -17.689 2.877 -3.685 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -19.055 3.974 -4.003 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -17.403 4.624 -3.874 1.00 1.12 H new ATOM 904 N SER A 57 -20.188 7.866 -0.041 1.00 0.84 N ATOM 905 CA SER A 57 -20.501 9.284 0.063 1.00 0.90 C ATOM 906 C SER A 57 -20.160 9.820 1.454 1.00 0.95 C ATOM 907 O SER A 57 -19.937 11.018 1.628 1.00 1.03 O ATOM 908 CB SER A 57 -21.983 9.502 -0.246 1.00 0.93 C ATOM 909 OG SER A 57 -22.567 8.312 -0.761 1.00 1.15 O ATOM 0 H SER A 57 -21.000 7.250 -0.006 1.00 0.84 H new ATOM 0 HA SER A 57 -19.897 9.831 -0.661 1.00 0.90 H new ATOM 0 HB2 SER A 57 -22.507 9.809 0.659 1.00 0.93 H new ATOM 0 HB3 SER A 57 -22.094 10.310 -0.969 1.00 0.93 H new ATOM 0 HG SER A 57 -23.515 8.469 -0.951 1.00 1.15 H new ATOM 915 N ASP A 58 -20.097 8.917 2.436 1.00 0.93 N ATOM 916 CA ASP A 58 -19.779 9.290 3.815 1.00 0.99 C ATOM 917 C ASP A 58 -18.343 9.786 3.915 1.00 0.99 C ATOM 918 O ASP A 58 -18.047 10.738 4.640 1.00 1.06 O ATOM 919 CB ASP A 58 -19.988 8.100 4.757 1.00 1.04 C ATOM 920 CG ASP A 58 -19.924 8.497 6.218 1.00 1.27 C ATOM 921 OD1 ASP A 58 -20.952 8.950 6.762 1.00 1.93 O ATOM 922 OD2 ASP A 58 -18.850 8.347 6.834 1.00 1.45 O ATOM 0 H ASP A 58 -20.263 7.920 2.300 1.00 0.93 H new ATOM 0 HA ASP A 58 -20.451 10.095 4.113 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -20.956 7.643 4.550 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -19.229 7.344 4.556 1.00 1.04 H new ATOM 927 N TYR A 59 -17.454 9.138 3.177 1.00 0.95 N ATOM 928 CA TYR A 59 -16.046 9.520 3.164 1.00 0.97 C ATOM 929 C TYR A 59 -15.792 10.562 2.083 1.00 1.00 C ATOM 930 O TYR A 59 -14.668 11.035 1.922 1.00 1.06 O ATOM 931 CB TYR A 59 -15.156 8.304 2.897 1.00 0.94 C ATOM 932 CG TYR A 59 -15.053 7.328 4.047 1.00 0.89 C ATOM 933 CD1 TYR A 59 -14.223 7.586 5.133 1.00 0.91 C ATOM 934 CD2 TYR A 59 -15.771 6.141 4.037 1.00 0.87 C ATOM 935 CE1 TYR A 59 -14.115 6.686 6.176 1.00 0.91 C ATOM 936 CE2 TYR A 59 -15.670 5.239 5.076 1.00 0.88 C ATOM 937 CZ TYR A 59 -14.839 5.514 6.142 1.00 0.88 C ATOM 938 OH TYR A 59 -14.734 4.614 7.178 1.00 0.93 O ATOM 0 H TYR A 59 -17.681 8.344 2.578 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.804 9.936 4.142 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -15.539 7.776 2.024 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -14.155 8.653 2.644 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -13.654 8.504 5.161 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -16.420 5.919 3.202 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -13.467 6.900 7.013 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -16.239 4.321 5.055 1.00 0.88 H new ATOM 0 HH TYR A 59 -13.803 4.570 7.480 1.00 0.93 H new ATOM 948 N ASN A 60 -16.851 10.907 1.345 1.00 0.98 N ATOM 949 CA ASN A 60 -16.765 11.873 0.249 1.00 1.03 C ATOM 950 C ASN A 60 -15.739 11.399 -0.778 1.00 1.00 C ATOM 951 O ASN A 60 -14.937 12.175 -1.292 1.00 1.07 O ATOM 952 CB ASN A 60 -16.405 13.274 0.768 1.00 1.14 C ATOM 953 CG ASN A 60 -16.791 14.381 -0.205 1.00 1.17 C ATOM 954 OD1 ASN A 60 -16.010 14.772 -1.072 1.00 1.43 O ATOM 955 ND2 ASN A 60 -18.003 14.898 -0.069 1.00 1.27 N ATOM 0 H ASN A 60 -17.786 10.527 1.490 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.742 11.941 -0.229 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -16.906 13.443 1.721 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -15.333 13.322 0.959 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -18.313 15.643 -0.693 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -18.626 14.551 0.660 1.00 1.27 H new ATOM 962 N ILE A 61 -15.777 10.102 -1.064 1.00 0.92 N ATOM 963 CA ILE A 61 -14.855 9.495 -2.011 1.00 0.90 C ATOM 964 C ILE A 61 -15.073 10.057 -3.409 1.00 0.96 C ATOM 965 O ILE A 61 -16.157 9.932 -3.985 1.00 1.00 O ATOM 966 CB ILE A 61 -15.000 7.955 -2.031 1.00 0.82 C ATOM 967 CG1 ILE A 61 -14.715 7.392 -0.636 1.00 0.81 C ATOM 968 CG2 ILE A 61 -14.060 7.341 -3.061 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.827 5.885 -0.547 1.00 0.77 C ATOM 0 H ILE A 61 -16.442 9.449 -0.649 1.00 0.92 H new ATOM 0 HA ILE A 61 -13.843 9.738 -1.686 1.00 0.90 H new ATOM 0 HB ILE A 61 -16.021 7.699 -2.313 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -13.711 7.690 -0.333 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -15.409 7.841 0.075 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -14.177 6.257 -3.060 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.300 7.731 -4.050 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -13.030 7.595 -2.811 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -14.611 5.564 0.472 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.837 5.579 -0.817 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -14.113 5.426 -1.231 1.00 0.77 H new ATOM 981 N GLN A 62 -14.042 10.697 -3.932 1.00 1.01 N ATOM 982 CA GLN A 62 -14.099 11.293 -5.257 1.00 1.09 C ATOM 983 C GLN A 62 -13.867 10.239 -6.330 1.00 1.01 C ATOM 984 O GLN A 62 -13.376 9.147 -6.044 1.00 0.95 O ATOM 985 CB GLN A 62 -13.053 12.405 -5.377 1.00 1.21 C ATOM 986 CG GLN A 62 -13.657 13.793 -5.472 1.00 1.47 C ATOM 987 CD GLN A 62 -14.388 14.010 -6.781 1.00 1.79 C ATOM 988 OE1 GLN A 62 -15.566 13.679 -6.910 1.00 2.18 O ATOM 989 NE2 GLN A 62 -13.697 14.570 -7.756 1.00 2.18 N ATOM 0 H GLN A 62 -13.148 10.818 -3.456 1.00 1.01 H new ATOM 0 HA GLN A 62 -15.091 11.720 -5.402 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -12.389 12.364 -4.513 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -12.439 12.223 -6.259 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -14.348 13.944 -4.643 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -12.868 14.538 -5.370 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -12.722 14.829 -7.606 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -14.138 14.744 -8.659 1.00 2.18 H new ATOM 998 N LYS A 63 -14.226 10.571 -7.561 1.00 1.04 N ATOM 999 CA LYS A 63 -14.045 9.656 -8.677 1.00 1.05 C ATOM 1000 C LYS A 63 -12.562 9.481 -8.976 1.00 0.99 C ATOM 1001 O LYS A 63 -11.781 10.424 -8.821 1.00 1.00 O ATOM 1002 CB LYS A 63 -14.779 10.172 -9.916 1.00 1.19 C ATOM 1003 CG LYS A 63 -14.298 11.539 -10.378 1.00 1.25 C ATOM 1004 CD LYS A 63 -14.888 11.925 -11.721 1.00 1.54 C ATOM 1005 CE LYS A 63 -14.238 13.187 -12.267 1.00 1.61 C ATOM 1006 NZ LYS A 63 -14.833 13.604 -13.565 1.00 2.42 N ATOM 0 H LYS A 63 -14.644 11.467 -7.812 1.00 1.04 H new ATOM 0 HA LYS A 63 -14.465 8.688 -8.405 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -14.652 9.457 -10.729 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -15.846 10.224 -9.701 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -14.568 12.289 -9.634 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -13.210 11.536 -10.447 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -14.752 11.108 -12.429 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -15.962 12.082 -11.618 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -14.348 13.994 -11.542 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -13.169 13.017 -12.396 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -14.361 14.468 -13.902 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -14.706 12.845 -14.265 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -15.848 13.791 -13.437 1.00 2.42 H new ATOM 1020 N GLU A 64 -12.186 8.272 -9.390 1.00 1.01 N ATOM 1021 CA GLU A 64 -10.796 7.952 -9.712 1.00 1.02 C ATOM 1022 C GLU A 64 -9.882 8.242 -8.520 1.00 0.93 C ATOM 1023 O GLU A 64 -8.870 8.935 -8.643 1.00 1.02 O ATOM 1024 CB GLU A 64 -10.332 8.734 -10.948 1.00 1.16 C ATOM 1025 CG GLU A 64 -10.885 8.199 -12.261 1.00 1.41 C ATOM 1026 CD GLU A 64 -12.323 8.610 -12.512 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -12.541 9.723 -13.039 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -13.240 7.815 -12.199 1.00 1.50 O ATOM 0 H GLU A 64 -12.831 7.491 -9.511 1.00 1.01 H new ATOM 0 HA GLU A 64 -10.737 6.887 -9.937 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -10.629 9.777 -10.838 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -9.243 8.715 -10.990 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -10.263 8.555 -13.082 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -10.819 7.111 -12.260 1.00 1.41 H new ATOM 1035 N SER A 65 -10.260 7.720 -7.363 1.00 0.88 N ATOM 1036 CA SER A 65 -9.492 7.906 -6.143 1.00 0.92 C ATOM 1037 C SER A 65 -8.510 6.757 -5.927 1.00 0.80 C ATOM 1038 O SER A 65 -8.712 5.650 -6.430 1.00 0.74 O ATOM 1039 CB SER A 65 -10.448 8.014 -4.956 1.00 1.08 C ATOM 1040 OG SER A 65 -11.650 7.304 -5.215 1.00 1.07 O ATOM 0 H SER A 65 -11.103 7.159 -7.244 1.00 0.88 H new ATOM 0 HA SER A 65 -8.912 8.825 -6.233 1.00 0.92 H new ATOM 0 HB2 SER A 65 -9.970 7.616 -4.060 1.00 1.08 H new ATOM 0 HB3 SER A 65 -10.674 9.062 -4.758 1.00 1.08 H new ATOM 0 HG SER A 65 -12.333 7.926 -5.542 1.00 1.07 H new ATOM 1046 N THR A 66 -7.450 7.026 -5.182 1.00 0.82 N ATOM 1047 CA THR A 66 -6.442 6.021 -4.898 1.00 0.77 C ATOM 1048 C THR A 66 -6.689 5.353 -3.544 1.00 0.67 C ATOM 1049 O THR A 66 -6.552 5.985 -2.492 1.00 0.72 O ATOM 1050 CB THR A 66 -5.029 6.638 -4.921 1.00 0.95 C ATOM 1051 OG1 THR A 66 -4.784 7.244 -6.200 1.00 1.11 O ATOM 1052 CG2 THR A 66 -3.969 5.584 -4.645 1.00 1.37 C ATOM 0 H THR A 66 -7.266 7.937 -4.762 1.00 0.82 H new ATOM 0 HA THR A 66 -6.512 5.263 -5.678 1.00 0.77 H new ATOM 0 HB THR A 66 -4.974 7.395 -4.139 1.00 0.95 H new ATOM 0 HG1 THR A 66 -3.886 7.636 -6.210 1.00 1.11 H new ATOM 0 HG21 THR A 66 -2.982 6.046 -4.667 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.141 5.143 -3.663 1.00 1.37 H new ATOM 0 HG23 THR A 66 -4.023 4.806 -5.407 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.075 4.081 -3.579 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.316 3.321 -2.361 1.00 0.54 C ATOM 1062 C LEU A 67 -6.165 2.350 -2.130 1.00 0.48 C ATOM 1063 O LEU A 67 -5.506 1.939 -3.083 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.641 2.557 -2.449 1.00 0.53 C ATOM 1065 CG LEU A 67 -9.905 3.418 -2.375 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.320 3.881 -3.764 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -11.032 2.645 -1.708 1.00 0.77 C ATOM 0 H LEU A 67 -7.227 3.556 -4.440 1.00 0.60 H new ATOM 0 HA LEU A 67 -7.379 4.014 -1.522 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -8.657 1.999 -3.385 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.673 1.826 -1.641 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.688 4.301 -1.773 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -11.220 4.491 -3.690 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.517 4.471 -4.206 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.521 3.013 -4.392 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.924 3.269 -1.662 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.248 1.746 -2.285 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.733 2.365 -0.698 1.00 0.77 H new ATOM 1079 N HIS A 68 -5.917 1.982 -0.881 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.818 1.075 -0.568 1.00 0.49 C ATOM 1081 C HIS A 68 -5.303 -0.227 0.052 1.00 0.46 C ATOM 1082 O HIS A 68 -5.977 -0.222 1.079 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.826 1.752 0.380 1.00 0.61 C ATOM 1084 CG HIS A 68 -2.718 2.461 -0.326 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.452 2.581 0.196 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -2.692 3.091 -1.521 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -0.694 3.251 -0.649 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -1.423 3.570 -1.700 1.00 2.11 N ATOM 0 H HIS A 68 -6.456 2.293 -0.073 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.327 0.833 -1.510 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -4.362 2.465 1.006 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.400 1.001 1.045 1.00 0.61 H new ATOM 0 HD1 HIS A 68 -1.147 2.210 1.096 1.00 1.45 H new ATOM 0 HD2 HIS A 68 -3.519 3.197 -2.207 1.00 1.62 H new ATOM 0 HE1 HIS A 68 0.348 3.497 -0.505 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -1.094 4.089 -2.514 1.00 2.11 H new ATOM 1097 N LEU A 69 -4.948 -1.335 -0.581 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.310 -2.655 -0.090 1.00 0.44 C ATOM 1099 C LEU A 69 -4.085 -3.315 0.535 1.00 0.49 C ATOM 1100 O LEU A 69 -3.236 -3.877 -0.163 1.00 0.52 O ATOM 1101 CB LEU A 69 -5.871 -3.517 -1.228 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.038 -5.006 -0.914 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -6.936 -5.206 0.295 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -6.603 -5.743 -2.118 1.00 0.64 C ATOM 0 H LEU A 69 -4.404 -1.345 -1.444 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.087 -2.557 0.668 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -6.842 -3.115 -1.519 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.213 -3.418 -2.092 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.055 -5.416 -0.682 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.040 -6.272 0.499 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.495 -4.712 1.161 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -7.918 -4.778 0.094 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -6.715 -6.800 -1.878 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -7.575 -5.324 -2.377 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -5.924 -5.633 -2.963 1.00 0.64 H new ATOM 1116 N VAL A 70 -3.988 -3.222 1.851 1.00 0.56 N ATOM 1117 CA VAL A 70 -2.862 -3.786 2.574 1.00 0.66 C ATOM 1118 C VAL A 70 -3.339 -4.805 3.595 1.00 0.74 C ATOM 1119 O VAL A 70 -4.100 -4.472 4.509 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.040 -2.697 3.293 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -0.735 -3.272 3.825 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -1.764 -1.523 2.363 1.00 0.97 C ATOM 0 H VAL A 70 -4.679 -2.759 2.442 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.222 -4.273 1.838 1.00 0.66 H new ATOM 0 HB VAL A 70 -2.627 -2.334 4.137 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.170 -2.487 4.329 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -0.952 -4.073 4.531 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -0.147 -3.667 2.997 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.183 -0.768 2.893 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -1.203 -1.870 1.495 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -2.708 -1.089 2.034 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.888 -6.043 3.434 1.00 0.77 N ATOM 1133 CA LEU A 71 -3.258 -7.130 4.333 1.00 0.87 C ATOM 1134 C LEU A 71 -2.851 -6.813 5.767 1.00 0.90 C ATOM 1135 O LEU A 71 -1.852 -6.127 6.005 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.612 -8.451 3.893 1.00 0.95 C ATOM 1137 CG LEU A 71 -3.206 -9.090 2.633 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -2.621 -8.462 1.375 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -2.965 -10.592 2.639 1.00 1.52 C ATOM 0 H LEU A 71 -2.259 -6.321 2.681 1.00 0.77 H new ATOM 0 HA LEU A 71 -4.342 -7.237 4.289 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.549 -8.277 3.724 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -2.692 -9.165 4.713 1.00 0.95 H new ATOM 0 HG LEU A 71 -4.281 -8.907 2.633 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -3.059 -8.933 0.495 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -2.844 -7.395 1.364 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -1.541 -8.607 1.364 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -3.392 -11.033 1.738 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -1.893 -10.788 2.666 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -3.437 -11.033 3.517 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.635 -7.314 6.713 1.00 0.98 N ATOM 1152 CA ARG A 72 -3.383 -7.095 8.133 1.00 1.06 C ATOM 1153 C ARG A 72 -2.051 -7.706 8.562 1.00 0.98 C ATOM 1154 O ARG A 72 -1.472 -8.532 7.852 1.00 0.98 O ATOM 1155 CB ARG A 72 -4.522 -7.701 8.960 1.00 1.26 C ATOM 1156 CG ARG A 72 -4.452 -9.219 9.062 1.00 1.27 C ATOM 1157 CD ARG A 72 -5.828 -9.840 9.232 1.00 1.51 C ATOM 1158 NE ARG A 72 -5.748 -11.219 9.713 1.00 1.92 N ATOM 1159 CZ ARG A 72 -5.348 -12.258 8.970 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -5.013 -12.080 7.696 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -5.285 -13.472 9.506 1.00 2.72 N ATOM 0 H ARG A 72 -4.460 -7.881 6.520 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.333 -6.020 8.307 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -4.500 -7.275 9.963 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -5.476 -7.417 8.515 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -3.980 -9.622 8.166 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -3.821 -9.497 9.906 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -6.411 -9.244 9.934 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -6.357 -9.818 8.279 1.00 1.51 H new ATOM 0 HE ARG A 72 -6.015 -11.401 10.680 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -5.060 -11.149 7.281 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -4.709 -12.874 7.133 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -5.541 -13.612 10.483 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -4.980 -14.264 8.940 1.00 2.72 H new ATOM 1175 N LEU A 73 -1.562 -7.284 9.714 1.00 1.04 N ATOM 1176 CA LEU A 73 -0.308 -7.795 10.246 1.00 1.05 C ATOM 1177 C LEU A 73 -0.589 -8.802 11.350 1.00 1.17 C ATOM 1178 O LEU A 73 0.033 -9.862 11.413 1.00 1.27 O ATOM 1179 CB LEU A 73 0.557 -6.652 10.787 1.00 1.16 C ATOM 1180 CG LEU A 73 1.917 -7.075 11.356 1.00 1.25 C ATOM 1181 CD1 LEU A 73 2.803 -7.659 10.262 1.00 1.23 C ATOM 1182 CD2 LEU A 73 2.602 -5.893 12.028 1.00 1.44 C ATOM 0 H LEU A 73 -2.015 -6.585 10.303 1.00 1.04 H new ATOM 0 HA LEU A 73 0.237 -8.286 9.440 1.00 1.05 H new ATOM 0 HB2 LEU A 73 0.724 -5.933 9.985 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -0.000 -6.134 11.568 1.00 1.16 H new ATOM 0 HG LEU A 73 1.750 -7.849 12.105 1.00 1.25 H new ATOM 0 HD11 LEU A 73 3.762 -7.952 10.688 1.00 1.23 H new ATOM 0 HD12 LEU A 73 2.317 -8.533 9.828 1.00 1.23 H new ATOM 0 HD13 LEU A 73 2.964 -6.911 9.486 1.00 1.23 H new ATOM 0 HD21 LEU A 73 3.566 -6.210 12.427 1.00 1.44 H new ATOM 0 HD22 LEU A 73 2.755 -5.098 11.298 1.00 1.44 H new ATOM 0 HD23 LEU A 73 1.977 -5.524 12.841 1.00 1.44 H new ATOM 1194 N ARG A 74 -1.529 -8.462 12.216 1.00 1.29 N ATOM 1195 CA ARG A 74 -1.906 -9.332 13.316 1.00 1.48 C ATOM 1196 C ARG A 74 -3.314 -9.871 13.096 1.00 1.52 C ATOM 1197 O ARG A 74 -4.062 -9.350 12.269 1.00 1.42 O ATOM 1198 CB ARG A 74 -1.842 -8.577 14.646 1.00 1.65 C ATOM 1199 CG ARG A 74 -0.451 -8.081 15.000 1.00 1.66 C ATOM 1200 CD ARG A 74 -0.414 -7.490 16.398 1.00 1.87 C ATOM 1201 NE ARG A 74 0.897 -6.924 16.726 1.00 2.02 N ATOM 1202 CZ ARG A 74 1.364 -6.807 17.969 1.00 2.49 C ATOM 1203 NH1 ARG A 74 0.655 -7.257 18.995 1.00 3.05 N ATOM 1204 NH2 ARG A 74 2.557 -6.261 18.182 1.00 2.67 N ATOM 0 H ARG A 74 -2.047 -7.584 12.177 1.00 1.29 H new ATOM 0 HA ARG A 74 -1.204 -10.165 13.353 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -2.522 -7.726 14.604 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -2.199 -9.230 15.442 1.00 1.65 H new ATOM 0 HG2 ARG A 74 0.259 -8.905 14.933 1.00 1.66 H new ATOM 0 HG3 ARG A 74 -0.136 -7.329 14.277 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -1.174 -6.714 16.482 1.00 1.87 H new ATOM 0 HD3 ARG A 74 -0.666 -8.263 17.124 1.00 1.87 H new ATOM 0 HE ARG A 74 1.486 -6.601 15.959 1.00 2.02 H new ATOM 0 HH11 ARG A 74 -0.252 -7.695 18.835 1.00 3.05 H new ATOM 0 HH12 ARG A 74 1.017 -7.165 19.944 1.00 3.05 H new ATOM 0 HH21 ARG A 74 3.115 -5.932 17.394 1.00 2.67 H new ATOM 0 HH22 ARG A 74 2.914 -6.171 19.133 1.00 2.67 H new ATOM 1218 N GLY A 75 -3.666 -10.915 13.827 1.00 1.73 N ATOM 1219 CA GLY A 75 -4.989 -11.496 13.698 1.00 1.82 C ATOM 1220 C GLY A 75 -5.780 -11.374 14.980 1.00 1.97 C ATOM 1221 O GLY A 75 -6.928 -10.922 14.982 1.00 2.14 O ATOM 0 H GLY A 75 -3.061 -11.373 14.509 1.00 1.73 H new ATOM 0 HA2 GLY A 75 -5.527 -11.000 12.890 1.00 1.82 H new ATOM 0 HA3 GLY A 75 -4.900 -12.547 13.424 1.00 1.82 H new ATOM 1225 N GLY A 76 -5.156 -11.762 16.077 1.00 2.11 N ATOM 1226 CA GLY A 76 -5.800 -11.694 17.365 1.00 2.28 C ATOM 1227 C GLY A 76 -4.798 -11.431 18.462 1.00 2.59 C ATOM 1228 O GLY A 76 -3.607 -11.764 18.276 1.00 2.86 O ATOM 1229 OXT GLY A 76 -5.192 -10.900 19.516 1.00 2.74 O ATOM 0 H GLY A 76 -4.204 -12.127 16.096 1.00 2.11 H new ATOM 0 HA2 GLY A 76 -6.551 -10.904 17.358 1.00 2.28 H new ATOM 0 HA3 GLY A 76 -6.323 -12.630 17.563 1.00 2.28 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 30.245 -4.325 1.672 1.00 6.94 N ATOM 1235 CA ALA B 49 29.770 -3.392 0.630 1.00 6.69 C ATOM 1236 C ALA B 49 29.797 -4.056 -0.740 1.00 5.91 C ATOM 1237 O ALA B 49 30.865 -4.282 -1.312 1.00 5.54 O ATOM 1238 CB ALA B 49 30.613 -2.125 0.618 1.00 6.99 C ATOM 0 HA ALA B 49 28.740 -3.121 0.863 1.00 6.69 H new ATOM 0 HB1 ALA B 49 30.246 -1.451 -0.157 1.00 6.99 H new ATOM 0 HB2 ALA B 49 30.545 -1.633 1.588 1.00 6.99 H new ATOM 0 HB3 ALA B 49 31.652 -2.382 0.414 1.00 6.99 H new ATOM 1246 N ASN B 50 28.620 -4.383 -1.246 1.00 5.87 N ATOM 1247 CA ASN B 50 28.490 -5.019 -2.549 1.00 5.30 C ATOM 1248 C ASN B 50 27.151 -4.643 -3.171 1.00 5.06 C ATOM 1249 O ASN B 50 26.629 -5.336 -4.047 1.00 5.44 O ATOM 1250 CB ASN B 50 28.606 -6.541 -2.411 1.00 6.03 C ATOM 1251 CG ASN B 50 28.873 -7.228 -3.737 1.00 6.24 C ATOM 1252 OD1 ASN B 50 29.512 -6.667 -4.626 1.00 6.11 O ATOM 1253 ND2 ASN B 50 28.387 -8.451 -3.874 1.00 6.90 N ATOM 0 H ASN B 50 27.733 -4.217 -0.771 1.00 5.87 H new ATOM 0 HA ASN B 50 29.293 -4.671 -3.198 1.00 5.30 H new ATOM 0 HB2 ASN B 50 29.410 -6.779 -1.714 1.00 6.03 H new ATOM 0 HB3 ASN B 50 27.685 -6.934 -1.981 1.00 6.03 H new ATOM 0 HD21 ASN B 50 28.537 -8.965 -4.742 1.00 6.90 H new ATOM 0 HD22 ASN B 50 27.862 -8.880 -3.112 1.00 6.90 H new ATOM 1260 N GLN B 51 26.615 -3.513 -2.732 1.00 4.75 N ATOM 1261 CA GLN B 51 25.329 -3.033 -3.217 1.00 4.80 C ATOM 1262 C GLN B 51 25.504 -2.055 -4.374 1.00 3.99 C ATOM 1263 O GLN B 51 24.696 -1.142 -4.561 1.00 4.10 O ATOM 1264 CB GLN B 51 24.546 -2.362 -2.084 1.00 5.49 C ATOM 1265 CG GLN B 51 25.219 -1.121 -1.507 1.00 6.37 C ATOM 1266 CD GLN B 51 26.211 -1.444 -0.408 1.00 7.07 C ATOM 1267 OE1 GLN B 51 27.396 -1.654 -0.664 1.00 7.23 O ATOM 1268 NE2 GLN B 51 25.728 -1.500 0.823 1.00 7.70 N ATOM 0 H GLN B 51 27.054 -2.909 -2.037 1.00 4.75 H new ATOM 0 HA GLN B 51 24.769 -3.895 -3.578 1.00 4.80 H new ATOM 0 HB2 GLN B 51 23.558 -2.087 -2.454 1.00 5.49 H new ATOM 0 HB3 GLN B 51 24.396 -3.086 -1.283 1.00 5.49 H new ATOM 0 HG2 GLN B 51 25.732 -0.587 -2.307 1.00 6.37 H new ATOM 0 HG3 GLN B 51 24.456 -0.449 -1.114 1.00 6.37 H new ATOM 0 HE21 GLN B 51 24.738 -1.319 0.991 1.00 7.70 H new ATOM 0 HE22 GLN B 51 26.345 -1.724 1.603 1.00 7.70 H new ATOM 1277 N GLN B 52 26.560 -2.250 -5.147 1.00 3.53 N ATOM 1278 CA GLN B 52 26.841 -1.391 -6.290 1.00 3.01 C ATOM 1279 C GLN B 52 26.004 -1.822 -7.492 1.00 2.27 C ATOM 1280 O GLN B 52 26.534 -2.168 -8.551 1.00 2.36 O ATOM 1281 CB GLN B 52 28.334 -1.418 -6.633 1.00 3.67 C ATOM 1282 CG GLN B 52 29.179 -0.493 -5.763 1.00 4.51 C ATOM 1283 CD GLN B 52 29.352 -1.009 -4.346 1.00 5.37 C ATOM 1284 OE1 GLN B 52 29.477 -2.212 -4.118 1.00 5.48 O ATOM 1285 NE2 GLN B 52 29.344 -0.106 -3.377 1.00 6.18 N ATOM 0 H GLN B 52 27.240 -2.997 -5.005 1.00 3.53 H new ATOM 0 HA GLN B 52 26.572 -0.367 -6.029 1.00 3.01 H new ATOM 0 HB2 GLN B 52 28.703 -2.438 -6.529 1.00 3.67 H new ATOM 0 HB3 GLN B 52 28.463 -1.137 -7.678 1.00 3.67 H new ATOM 0 HG2 GLN B 52 30.160 -0.368 -6.221 1.00 4.51 H new ATOM 0 HG3 GLN B 52 28.714 0.492 -5.731 1.00 4.51 H new ATOM 0 HE21 GLN B 52 29.238 0.883 -3.603 1.00 6.18 H new ATOM 0 HE22 GLN B 52 29.444 -0.400 -2.405 1.00 6.18 H new ATOM 1294 N THR B 53 24.691 -1.790 -7.304 1.00 2.20 N ATOM 1295 CA THR B 53 23.735 -2.168 -8.329 1.00 2.16 C ATOM 1296 C THR B 53 23.880 -1.299 -9.579 1.00 1.98 C ATOM 1297 O THR B 53 24.205 -0.110 -9.493 1.00 2.60 O ATOM 1298 CB THR B 53 22.301 -2.047 -7.778 1.00 3.08 C ATOM 1299 OG1 THR B 53 22.354 -1.594 -6.417 1.00 3.59 O ATOM 1300 CG2 THR B 53 21.573 -3.380 -7.843 1.00 3.84 C ATOM 0 H THR B 53 24.259 -1.498 -6.427 1.00 2.20 H new ATOM 0 HA THR B 53 23.937 -3.202 -8.610 1.00 2.16 H new ATOM 0 HB THR B 53 21.754 -1.331 -8.391 1.00 3.08 H new ATOM 0 HG1 THR B 53 21.519 -1.830 -5.961 1.00 3.59 H new ATOM 0 HG21 THR B 53 20.564 -3.263 -7.447 1.00 3.84 H new ATOM 0 HG22 THR B 53 21.520 -3.716 -8.879 1.00 3.84 H new ATOM 0 HG23 THR B 53 22.112 -4.118 -7.249 1.00 3.84 H new ATOM 1308 N SER B 54 23.655 -1.908 -10.736 1.00 1.83 N ATOM 1309 CA SER B 54 23.757 -1.220 -12.013 1.00 2.46 C ATOM 1310 C SER B 54 22.691 -0.134 -12.134 1.00 2.41 C ATOM 1311 O SER B 54 22.990 1.009 -12.485 1.00 3.09 O ATOM 1312 CB SER B 54 23.603 -2.242 -13.133 1.00 3.09 C ATOM 1313 OG SER B 54 23.299 -3.522 -12.593 1.00 3.01 O ATOM 0 H SER B 54 23.397 -2.892 -10.814 1.00 1.83 H new ATOM 0 HA SER B 54 24.731 -0.736 -12.085 1.00 2.46 H new ATOM 0 HB2 SER B 54 22.811 -1.929 -13.814 1.00 3.09 H new ATOM 0 HB3 SER B 54 24.522 -2.294 -13.716 1.00 3.09 H new ATOM 0 HG SER B 54 22.370 -3.533 -12.282 1.00 3.01 H new ATOM 1319 N GLY B 55 21.450 -0.498 -11.832 1.00 1.77 N ATOM 1320 CA GLY B 55 20.360 0.451 -11.913 1.00 1.76 C ATOM 1321 C GLY B 55 20.132 1.173 -10.602 1.00 1.40 C ATOM 1322 O GLY B 55 19.641 0.582 -9.640 1.00 1.29 O ATOM 0 H GLY B 55 21.181 -1.435 -11.532 1.00 1.77 H new ATOM 0 HA2 GLY B 55 20.572 1.180 -12.695 1.00 1.76 H new ATOM 0 HA3 GLY B 55 19.447 -0.070 -12.202 1.00 1.76 H new ATOM 1326 N LYS B 56 20.499 2.443 -10.562 1.00 1.43 N ATOM 1327 CA LYS B 56 20.329 3.255 -9.366 1.00 1.15 C ATOM 1328 C LYS B 56 19.325 4.368 -9.633 1.00 1.13 C ATOM 1329 O LYS B 56 19.522 5.197 -10.525 1.00 1.19 O ATOM 1330 CB LYS B 56 21.667 3.857 -8.925 1.00 1.16 C ATOM 1331 CG LYS B 56 22.652 2.840 -8.368 1.00 1.14 C ATOM 1332 CD LYS B 56 22.296 2.429 -6.947 1.00 1.03 C ATOM 1333 CE LYS B 56 23.235 1.352 -6.433 1.00 1.13 C ATOM 1334 NZ LYS B 56 22.979 1.006 -5.009 1.00 1.04 N ATOM 0 H LYS B 56 20.919 2.938 -11.349 1.00 1.43 H new ATOM 0 HA LYS B 56 19.956 2.616 -8.566 1.00 1.15 H new ATOM 0 HB2 LYS B 56 22.124 4.361 -9.776 1.00 1.16 H new ATOM 0 HB3 LYS B 56 21.479 4.618 -8.167 1.00 1.16 H new ATOM 0 HG2 LYS B 56 22.666 1.958 -9.009 1.00 1.14 H new ATOM 0 HG3 LYS B 56 23.657 3.261 -8.384 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.343 3.299 -6.292 1.00 1.03 H new ATOM 0 HD3 LYS B 56 21.269 2.064 -6.918 1.00 1.03 H new ATOM 0 HE2 LYS B 56 23.127 0.457 -7.046 1.00 1.13 H new ATOM 0 HE3 LYS B 56 24.265 1.690 -6.542 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 23.354 0.057 -4.810 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 23.449 1.700 -4.393 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 21.955 1.019 -4.827 1.00 1.04 H new ATOM 1348 N VAL B 57 18.245 4.379 -8.870 1.00 1.12 N ATOM 1349 CA VAL B 57 17.216 5.389 -9.033 1.00 1.13 C ATOM 1350 C VAL B 57 17.490 6.572 -8.112 1.00 1.07 C ATOM 1351 O VAL B 57 17.675 6.403 -6.906 1.00 0.99 O ATOM 1352 CB VAL B 57 15.807 4.832 -8.738 1.00 1.11 C ATOM 1353 CG1 VAL B 57 14.741 5.761 -9.296 1.00 1.23 C ATOM 1354 CG2 VAL B 57 15.645 3.428 -9.306 1.00 1.15 C ATOM 0 H VAL B 57 18.059 3.700 -8.132 1.00 1.12 H new ATOM 0 HA VAL B 57 17.243 5.711 -10.074 1.00 1.13 H new ATOM 0 HB VAL B 57 15.685 4.774 -7.656 1.00 1.11 H new ATOM 0 HG11 VAL B 57 13.754 5.353 -9.079 1.00 1.23 H new ATOM 0 HG12 VAL B 57 14.837 6.744 -8.835 1.00 1.23 H new ATOM 0 HG13 VAL B 57 14.867 5.853 -10.375 1.00 1.23 H new ATOM 0 HG21 VAL B 57 14.644 3.059 -9.084 1.00 1.15 H new ATOM 0 HG22 VAL B 57 15.792 3.453 -10.386 1.00 1.15 H new ATOM 0 HG23 VAL B 57 16.384 2.766 -8.855 1.00 1.15 H new ATOM 1364 N LEU B 58 17.531 7.765 -8.687 1.00 1.14 N ATOM 1365 CA LEU B 58 17.784 8.972 -7.920 1.00 1.13 C ATOM 1366 C LEU B 58 16.474 9.630 -7.509 1.00 1.12 C ATOM 1367 O LEU B 58 15.635 9.947 -8.355 1.00 1.20 O ATOM 1368 CB LEU B 58 18.633 9.956 -8.735 1.00 1.28 C ATOM 1369 CG LEU B 58 18.805 11.347 -8.113 1.00 1.36 C ATOM 1370 CD1 LEU B 58 20.277 11.707 -7.999 1.00 1.29 C ATOM 1371 CD2 LEU B 58 18.069 12.396 -8.933 1.00 1.76 C ATOM 0 H LEU B 58 17.392 7.921 -9.685 1.00 1.14 H new ATOM 0 HA LEU B 58 18.333 8.695 -7.020 1.00 1.13 H new ATOM 0 HB2 LEU B 58 19.620 9.519 -8.886 1.00 1.28 H new ATOM 0 HB3 LEU B 58 18.181 10.070 -9.720 1.00 1.28 H new ATOM 0 HG LEU B 58 18.376 11.325 -7.111 1.00 1.36 H new ATOM 0 HD11 LEU B 58 20.376 12.698 -7.555 1.00 1.29 H new ATOM 0 HD12 LEU B 58 20.783 10.975 -7.369 1.00 1.29 H new ATOM 0 HD13 LEU B 58 20.729 11.707 -8.991 1.00 1.29 H new ATOM 0 HD21 LEU B 58 18.203 13.376 -8.475 1.00 1.76 H new ATOM 0 HD22 LEU B 58 18.469 12.411 -9.947 1.00 1.76 H new ATOM 0 HD23 LEU B 58 17.007 12.153 -8.965 1.00 1.76 H new ATOM 1383 N TYR B 59 16.297 9.821 -6.213 1.00 1.06 N ATOM 1384 CA TYR B 59 15.100 10.459 -5.688 1.00 1.06 C ATOM 1385 C TYR B 59 15.490 11.777 -5.024 1.00 1.09 C ATOM 1386 O TYR B 59 16.433 11.815 -4.227 1.00 1.06 O ATOM 1387 CB TYR B 59 14.367 9.532 -4.698 1.00 0.97 C ATOM 1388 CG TYR B 59 14.992 9.462 -3.318 1.00 0.89 C ATOM 1389 CD1 TYR B 59 16.179 8.776 -3.098 1.00 1.03 C ATOM 1390 CD2 TYR B 59 14.393 10.099 -2.239 1.00 1.03 C ATOM 1391 CE1 TYR B 59 16.754 8.730 -1.841 1.00 1.28 C ATOM 1392 CE2 TYR B 59 14.959 10.056 -0.978 1.00 1.27 C ATOM 1393 CZ TYR B 59 16.141 9.370 -0.785 1.00 1.38 C ATOM 1394 OH TYR B 59 16.723 9.333 0.465 1.00 1.77 O ATOM 0 H TYR B 59 16.971 9.542 -5.500 1.00 1.06 H new ATOM 0 HA TYR B 59 14.410 10.661 -6.507 1.00 1.06 H new ATOM 0 HB2 TYR B 59 13.336 9.871 -4.599 1.00 0.97 H new ATOM 0 HB3 TYR B 59 14.333 8.527 -5.119 1.00 0.97 H new ATOM 0 HD1 TYR B 59 16.661 8.270 -3.922 1.00 1.03 H new ATOM 0 HD2 TYR B 59 13.469 10.638 -2.387 1.00 1.03 H new ATOM 0 HE1 TYR B 59 17.679 8.195 -1.687 1.00 1.28 H new ATOM 0 HE2 TYR B 59 14.479 10.556 -0.150 1.00 1.27 H new ATOM 0 HH TYR B 59 16.168 9.833 1.099 1.00 1.77 H new ATOM 1404 N GLU B 60 14.787 12.852 -5.382 1.00 1.18 N ATOM 1405 CA GLU B 60 15.048 14.193 -4.844 1.00 1.24 C ATOM 1406 C GLU B 60 16.460 14.658 -5.209 1.00 1.34 C ATOM 1407 O GLU B 60 16.653 15.391 -6.180 1.00 1.90 O ATOM 1408 CB GLU B 60 14.846 14.225 -3.321 1.00 1.13 C ATOM 1409 CG GLU B 60 13.482 13.720 -2.871 1.00 1.09 C ATOM 1410 CD GLU B 60 12.334 14.519 -3.455 1.00 1.49 C ATOM 1411 OE1 GLU B 60 12.074 15.637 -2.965 1.00 2.02 O ATOM 1412 OE2 GLU B 60 11.682 14.036 -4.402 1.00 1.66 O ATOM 0 H GLU B 60 14.020 12.820 -6.053 1.00 1.18 H new ATOM 0 HA GLU B 60 14.332 14.880 -5.295 1.00 1.24 H new ATOM 0 HB2 GLU B 60 15.621 13.621 -2.848 1.00 1.13 H new ATOM 0 HB3 GLU B 60 14.979 15.248 -2.968 1.00 1.13 H new ATOM 0 HG2 GLU B 60 13.374 12.675 -3.160 1.00 1.09 H new ATOM 0 HG3 GLU B 60 13.427 13.757 -1.783 1.00 1.09 H new ATOM 1419 N GLY B 61 17.441 14.215 -4.433 1.00 1.27 N ATOM 1420 CA GLY B 61 18.820 14.573 -4.683 1.00 1.32 C ATOM 1421 C GLY B 61 19.767 13.511 -4.168 1.00 1.22 C ATOM 1422 O GLY B 61 20.950 13.770 -3.960 1.00 1.33 O ATOM 0 H GLY B 61 17.301 13.607 -3.626 1.00 1.27 H new ATOM 0 HA2 GLY B 61 18.973 14.712 -5.753 1.00 1.32 H new ATOM 0 HA3 GLY B 61 19.043 15.526 -4.203 1.00 1.32 H new ATOM 1426 N LYS B 62 19.245 12.304 -3.972 1.00 1.08 N ATOM 1427 CA LYS B 62 20.044 11.194 -3.467 1.00 1.02 C ATOM 1428 C LYS B 62 19.875 9.968 -4.360 1.00 1.00 C ATOM 1429 O LYS B 62 18.804 9.749 -4.929 1.00 1.00 O ATOM 1430 CB LYS B 62 19.629 10.860 -2.030 1.00 0.92 C ATOM 1431 CG LYS B 62 20.636 9.998 -1.282 1.00 0.90 C ATOM 1432 CD LYS B 62 20.095 9.531 0.063 1.00 0.94 C ATOM 1433 CE LYS B 62 19.945 10.681 1.050 1.00 1.30 C ATOM 1434 NZ LYS B 62 18.580 11.273 1.025 1.00 1.59 N ATOM 0 H LYS B 62 18.269 12.070 -4.156 1.00 1.08 H new ATOM 0 HA LYS B 62 21.094 11.488 -3.474 1.00 1.02 H new ATOM 0 HB2 LYS B 62 19.481 11.789 -1.480 1.00 0.92 H new ATOM 0 HB3 LYS B 62 18.669 10.345 -2.050 1.00 0.92 H new ATOM 0 HG2 LYS B 62 20.895 9.131 -1.890 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.554 10.564 -1.127 1.00 0.90 H new ATOM 0 HD2 LYS B 62 19.128 9.050 -0.083 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.764 8.779 0.482 1.00 0.94 H new ATOM 0 HE2 LYS B 62 20.165 10.324 2.056 1.00 1.30 H new ATOM 0 HE3 LYS B 62 20.678 11.454 0.818 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 18.253 11.433 1.999 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 18.604 12.179 0.515 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 17.928 10.622 0.543 1.00 1.59 H new ATOM 1448 N GLU B 63 20.930 9.176 -4.479 1.00 1.03 N ATOM 1449 CA GLU B 63 20.899 7.975 -5.299 1.00 1.06 C ATOM 1450 C GLU B 63 20.697 6.742 -4.428 1.00 0.95 C ATOM 1451 O GLU B 63 21.310 6.618 -3.370 1.00 0.93 O ATOM 1452 CB GLU B 63 22.203 7.837 -6.086 1.00 1.22 C ATOM 1453 CG GLU B 63 22.699 9.139 -6.686 1.00 1.48 C ATOM 1454 CD GLU B 63 24.194 9.307 -6.532 1.00 1.64 C ATOM 1455 OE1 GLU B 63 24.948 8.743 -7.352 1.00 2.14 O ATOM 1456 OE2 GLU B 63 24.622 9.998 -5.582 1.00 1.90 O ATOM 0 H GLU B 63 21.823 9.345 -4.015 1.00 1.03 H new ATOM 0 HA GLU B 63 20.066 8.058 -5.997 1.00 1.06 H new ATOM 0 HB2 GLU B 63 22.973 7.435 -5.427 1.00 1.22 H new ATOM 0 HB3 GLU B 63 22.058 7.111 -6.886 1.00 1.22 H new ATOM 0 HG2 GLU B 63 22.439 9.172 -7.744 1.00 1.48 H new ATOM 0 HG3 GLU B 63 22.190 9.975 -6.206 1.00 1.48 H new ATOM 1463 N PHE B 64 19.830 5.842 -4.864 1.00 0.93 N ATOM 1464 CA PHE B 64 19.564 4.619 -4.124 1.00 0.85 C ATOM 1465 C PHE B 64 19.297 3.471 -5.091 1.00 0.91 C ATOM 1466 O PHE B 64 19.250 3.680 -6.301 1.00 1.02 O ATOM 1467 CB PHE B 64 18.368 4.810 -3.187 1.00 0.74 C ATOM 1468 CG PHE B 64 18.717 4.671 -1.735 1.00 0.71 C ATOM 1469 CD1 PHE B 64 19.140 5.768 -1.003 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.628 3.442 -1.102 1.00 0.65 C ATOM 1471 CE1 PHE B 64 19.463 5.643 0.333 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.952 3.311 0.235 1.00 0.68 C ATOM 1473 CZ PHE B 64 19.371 4.412 0.953 1.00 0.77 C ATOM 0 H PHE B 64 19.297 5.936 -5.729 1.00 0.93 H new ATOM 0 HA PHE B 64 20.440 4.378 -3.522 1.00 0.85 H new ATOM 0 HB2 PHE B 64 17.938 5.797 -3.356 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.599 4.080 -3.439 1.00 0.74 H new ATOM 0 HD1 PHE B 64 19.218 6.732 -1.483 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.302 2.577 -1.660 1.00 0.65 H new ATOM 0 HE1 PHE B 64 19.788 6.507 0.893 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.877 2.348 0.717 1.00 0.68 H new ATOM 0 HZ PHE B 64 19.627 4.312 1.998 1.00 0.77 H new ATOM 1483 N ASP B 65 19.141 2.267 -4.552 1.00 0.87 N ATOM 1484 CA ASP B 65 18.876 1.082 -5.368 1.00 0.94 C ATOM 1485 C ASP B 65 17.540 1.222 -6.080 1.00 1.03 C ATOM 1486 O ASP B 65 17.480 1.557 -7.264 1.00 1.18 O ATOM 1487 CB ASP B 65 18.861 -0.182 -4.503 1.00 0.88 C ATOM 1488 CG ASP B 65 20.238 -0.598 -4.043 1.00 0.84 C ATOM 1489 OD1 ASP B 65 20.935 0.230 -3.419 1.00 1.13 O ATOM 1490 OD2 ASP B 65 20.633 -1.753 -4.304 1.00 1.39 O ATOM 0 H ASP B 65 19.193 2.083 -3.550 1.00 0.87 H new ATOM 0 HA ASP B 65 19.674 0.995 -6.106 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.229 -0.012 -3.632 1.00 0.88 H new ATOM 0 HB3 ASP B 65 18.411 -0.998 -5.069 1.00 0.88 H new ATOM 1495 N TYR B 66 16.468 0.983 -5.343 1.00 0.99 N ATOM 1496 CA TYR B 66 15.129 1.080 -5.890 1.00 1.12 C ATOM 1497 C TYR B 66 14.241 1.853 -4.929 1.00 0.95 C ATOM 1498 O TYR B 66 14.204 1.559 -3.734 1.00 0.88 O ATOM 1499 CB TYR B 66 14.547 -0.313 -6.148 1.00 1.31 C ATOM 1500 CG TYR B 66 15.344 -1.130 -7.145 1.00 1.57 C ATOM 1501 CD1 TYR B 66 15.285 -0.848 -8.506 1.00 1.79 C ATOM 1502 CD2 TYR B 66 16.158 -2.175 -6.727 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.014 -1.586 -9.417 1.00 2.05 C ATOM 1504 CE2 TYR B 66 16.890 -2.917 -7.635 1.00 1.89 C ATOM 1505 CZ TYR B 66 16.814 -2.617 -8.978 1.00 2.08 C ATOM 1506 OH TYR B 66 17.543 -3.348 -9.887 1.00 2.34 O ATOM 0 H TYR B 66 16.502 0.719 -4.358 1.00 0.99 H new ATOM 0 HA TYR B 66 15.175 1.609 -6.842 1.00 1.12 H new ATOM 0 HB2 TYR B 66 14.496 -0.856 -5.204 1.00 1.31 H new ATOM 0 HB3 TYR B 66 13.525 -0.209 -6.512 1.00 1.31 H new ATOM 0 HD1 TYR B 66 14.660 -0.040 -8.855 1.00 1.79 H new ATOM 0 HD2 TYR B 66 16.220 -2.412 -5.675 1.00 1.64 H new ATOM 0 HE1 TYR B 66 15.957 -1.355 -10.471 1.00 2.05 H new ATOM 0 HE2 TYR B 66 17.518 -3.727 -7.294 1.00 1.89 H new ATOM 0 HH TYR B 66 18.056 -4.037 -9.416 1.00 2.34 H new ATOM 1516 N VAL B 67 13.553 2.853 -5.447 1.00 0.97 N ATOM 1517 CA VAL B 67 12.675 3.664 -4.626 1.00 0.85 C ATOM 1518 C VAL B 67 11.215 3.317 -4.890 1.00 0.86 C ATOM 1519 O VAL B 67 10.754 3.317 -6.036 1.00 1.09 O ATOM 1520 CB VAL B 67 12.907 5.177 -4.840 1.00 0.87 C ATOM 1521 CG1 VAL B 67 14.266 5.589 -4.296 1.00 0.85 C ATOM 1522 CG2 VAL B 67 12.793 5.551 -6.310 1.00 1.05 C ATOM 0 H VAL B 67 13.585 3.123 -6.430 1.00 0.97 H new ATOM 0 HA VAL B 67 12.915 3.437 -3.587 1.00 0.85 H new ATOM 0 HB VAL B 67 12.131 5.713 -4.294 1.00 0.87 H new ATOM 0 HG11 VAL B 67 14.413 6.657 -4.455 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.312 5.371 -3.229 1.00 0.85 H new ATOM 0 HG13 VAL B 67 15.049 5.034 -4.814 1.00 0.85 H new ATOM 0 HG21 VAL B 67 12.961 6.622 -6.427 1.00 1.05 H new ATOM 0 HG22 VAL B 67 13.539 5.001 -6.884 1.00 1.05 H new ATOM 0 HG23 VAL B 67 11.797 5.298 -6.674 1.00 1.05 H new ATOM 1532 N PHE B 68 10.503 2.999 -3.822 1.00 0.75 N ATOM 1533 CA PHE B 68 9.096 2.644 -3.916 1.00 0.79 C ATOM 1534 C PHE B 68 8.237 3.898 -3.925 1.00 0.81 C ATOM 1535 O PHE B 68 8.540 4.869 -3.227 1.00 0.77 O ATOM 1536 CB PHE B 68 8.690 1.744 -2.744 1.00 0.78 C ATOM 1537 CG PHE B 68 9.349 0.390 -2.750 1.00 1.42 C ATOM 1538 CD1 PHE B 68 10.645 0.227 -2.281 1.00 2.40 C ATOM 1539 CD2 PHE B 68 8.670 -0.721 -3.224 1.00 1.76 C ATOM 1540 CE1 PHE B 68 11.247 -1.018 -2.287 1.00 3.40 C ATOM 1541 CE2 PHE B 68 9.267 -1.968 -3.232 1.00 2.77 C ATOM 1542 CZ PHE B 68 10.557 -2.116 -2.761 1.00 3.53 C ATOM 0 H PHE B 68 10.879 2.979 -2.874 1.00 0.75 H new ATOM 0 HA PHE B 68 8.940 2.099 -4.847 1.00 0.79 H new ATOM 0 HB2 PHE B 68 8.934 2.250 -1.810 1.00 0.78 H new ATOM 0 HB3 PHE B 68 7.608 1.610 -2.761 1.00 0.78 H new ATOM 0 HD1 PHE B 68 11.189 1.082 -1.907 1.00 2.40 H new ATOM 0 HD2 PHE B 68 7.661 -0.611 -3.592 1.00 1.76 H new ATOM 0 HE1 PHE B 68 12.257 -1.131 -1.921 1.00 3.40 H new ATOM 0 HE2 PHE B 68 8.726 -2.825 -3.606 1.00 2.77 H new ATOM 0 HZ PHE B 68 11.025 -3.089 -2.763 1.00 3.53 H new ATOM 1552 N SER B 69 7.180 3.884 -4.724 1.00 0.93 N ATOM 1553 CA SER B 69 6.274 5.018 -4.815 1.00 0.99 C ATOM 1554 C SER B 69 5.179 4.898 -3.761 1.00 1.07 C ATOM 1555 O SER B 69 4.478 3.888 -3.698 1.00 1.23 O ATOM 1556 CB SER B 69 5.652 5.084 -6.209 1.00 1.13 C ATOM 1557 OG SER B 69 6.617 4.814 -7.212 1.00 1.37 O ATOM 0 H SER B 69 6.929 3.096 -5.321 1.00 0.93 H new ATOM 0 HA SER B 69 6.838 5.934 -4.637 1.00 0.99 H new ATOM 0 HB2 SER B 69 4.837 4.364 -6.281 1.00 1.13 H new ATOM 0 HB3 SER B 69 5.220 6.072 -6.372 1.00 1.13 H new ATOM 0 HG SER B 69 6.193 4.861 -8.095 1.00 1.37 H new ATOM 1563 N ILE B 70 5.039 5.918 -2.928 1.00 1.01 N ATOM 1564 CA ILE B 70 4.024 5.895 -1.886 1.00 1.12 C ATOM 1565 C ILE B 70 3.027 7.035 -2.057 1.00 1.08 C ATOM 1566 O ILE B 70 3.401 8.212 -2.060 1.00 1.10 O ATOM 1567 CB ILE B 70 4.634 5.995 -0.471 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.931 5.195 -0.369 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.631 5.507 0.568 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.718 5.493 0.888 1.00 1.62 C ATOM 0 H ILE B 70 5.609 6.764 -2.952 1.00 1.01 H new ATOM 0 HA ILE B 70 3.516 4.936 -1.988 1.00 1.12 H new ATOM 0 HB ILE B 70 4.869 7.042 -0.277 1.00 1.21 H new ATOM 0 HG12 ILE B 70 5.697 4.131 -0.400 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.552 5.410 -1.238 1.00 1.41 H new ATOM 0 HG21 ILE B 70 4.072 5.582 1.562 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.732 6.121 0.522 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.371 4.468 0.363 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.627 4.892 0.899 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.981 6.550 0.910 1.00 1.62 H new ATOM 0 HD13 ILE B 70 6.113 5.251 1.762 1.00 1.62 H new ATOM 1582 N ASP B 71 1.766 6.669 -2.210 1.00 1.20 N ATOM 1583 CA ASP B 71 0.686 7.637 -2.349 1.00 1.30 C ATOM 1584 C ASP B 71 -0.278 7.477 -1.179 1.00 1.30 C ATOM 1585 O ASP B 71 -0.532 6.359 -0.721 1.00 1.46 O ATOM 1586 CB ASP B 71 -0.052 7.468 -3.687 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.115 6.026 -4.162 1.00 1.54 C ATOM 1588 OD1 ASP B 71 -0.843 5.220 -3.550 1.00 1.95 O ATOM 1589 OD2 ASP B 71 0.559 5.692 -5.158 1.00 1.89 O ATOM 0 H ASP B 71 1.460 5.696 -2.242 1.00 1.20 H new ATOM 0 HA ASP B 71 1.110 8.641 -2.341 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -1.066 7.854 -3.586 1.00 1.55 H new ATOM 0 HB3 ASP B 71 0.445 8.072 -4.446 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.789 8.589 -0.681 1.00 1.31 N ATOM 1595 CA VAL B 72 -1.702 8.564 0.455 1.00 1.39 C ATOM 1596 C VAL B 72 -3.167 8.499 0.008 1.00 1.60 C ATOM 1597 O VAL B 72 -3.967 7.762 0.587 1.00 1.74 O ATOM 1598 CB VAL B 72 -1.474 9.785 1.383 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -1.533 11.093 0.605 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -2.475 9.795 2.530 1.00 1.98 C ATOM 0 H VAL B 72 -0.589 9.521 -1.043 1.00 1.31 H new ATOM 0 HA VAL B 72 -1.485 7.656 1.018 1.00 1.39 H new ATOM 0 HB VAL B 72 -0.473 9.693 1.805 1.00 1.41 H new ATOM 0 HG11 VAL B 72 -1.369 11.929 1.285 1.00 1.50 H new ATOM 0 HG12 VAL B 72 -0.760 11.094 -0.164 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -2.512 11.193 0.136 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -2.292 10.662 3.165 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -3.487 9.846 2.129 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -2.363 8.884 3.118 1.00 1.98 H new ATOM 1610 N ASN B 73 -3.504 9.257 -1.030 1.00 1.74 N ATOM 1611 CA ASN B 73 -4.867 9.295 -1.554 1.00 2.04 C ATOM 1612 C ASN B 73 -4.902 10.135 -2.818 1.00 2.10 C ATOM 1613 O ASN B 73 -5.430 9.711 -3.845 1.00 2.56 O ATOM 1614 CB ASN B 73 -5.833 9.878 -0.517 1.00 2.45 C ATOM 1615 CG ASN B 73 -7.290 9.745 -0.922 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -8.086 10.653 -0.700 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -7.657 8.608 -1.500 1.00 3.55 N ATOM 0 H ASN B 73 -2.848 9.858 -1.529 1.00 1.74 H new ATOM 0 HA ASN B 73 -5.181 8.276 -1.782 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -5.680 9.375 0.438 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -5.599 10.931 -0.363 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -8.629 8.467 -1.776 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -6.967 7.876 -1.669 1.00 3.55 H new ATOM 1624 N GLU B 74 -4.340 11.335 -2.722 1.00 2.11 N ATOM 1625 CA GLU B 74 -4.268 12.246 -3.853 1.00 2.37 C ATOM 1626 C GLU B 74 -2.949 12.041 -4.586 1.00 2.06 C ATOM 1627 O GLU B 74 -2.074 11.324 -4.101 1.00 2.44 O ATOM 1628 CB GLU B 74 -4.389 13.698 -3.386 1.00 3.12 C ATOM 1629 CG GLU B 74 -5.799 14.096 -2.978 1.00 3.50 C ATOM 1630 CD GLU B 74 -6.065 15.570 -3.200 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -5.999 16.020 -4.365 1.00 4.70 O ATOM 1632 OE2 GLU B 74 -6.329 16.290 -2.217 1.00 4.76 O ATOM 0 H GLU B 74 -3.925 11.699 -1.864 1.00 2.11 H new ATOM 0 HA GLU B 74 -5.097 12.035 -4.529 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -3.718 13.855 -2.541 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -4.053 14.357 -4.187 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -6.519 13.509 -3.548 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -5.952 13.855 -1.926 1.00 3.50 H new ATOM 1639 N GLY B 75 -2.809 12.668 -5.746 1.00 1.96 N ATOM 1640 CA GLY B 75 -1.591 12.531 -6.519 1.00 1.83 C ATOM 1641 C GLY B 75 -0.399 13.208 -5.863 1.00 1.79 C ATOM 1642 O GLY B 75 0.718 12.687 -5.897 1.00 2.16 O ATOM 0 H GLY B 75 -3.518 13.270 -6.166 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -1.371 11.472 -6.658 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -1.745 12.957 -7.510 1.00 1.83 H new ATOM 1646 N GLY B 76 -0.634 14.368 -5.271 1.00 1.70 N ATOM 1647 CA GLY B 76 0.433 15.093 -4.624 1.00 1.72 C ATOM 1648 C GLY B 76 0.102 15.375 -3.167 1.00 1.64 C ATOM 1649 O GLY B 76 -1.067 15.583 -2.826 1.00 1.74 O ATOM 0 H GLY B 76 -1.548 14.820 -5.228 1.00 1.70 H new ATOM 0 HA2 GLY B 76 1.357 14.517 -4.685 1.00 1.72 H new ATOM 0 HA3 GLY B 76 0.608 16.032 -5.148 1.00 1.72 H new ATOM 1653 N PRO B 77 1.112 15.392 -2.284 1.00 1.48 N ATOM 1654 CA PRO B 77 2.502 15.135 -2.661 1.00 1.39 C ATOM 1655 C PRO B 77 2.829 13.643 -2.725 1.00 1.29 C ATOM 1656 O PRO B 77 2.242 12.832 -2.002 1.00 1.33 O ATOM 1657 CB PRO B 77 3.284 15.807 -1.537 1.00 1.36 C ATOM 1658 CG PRO B 77 2.403 15.694 -0.339 1.00 1.41 C ATOM 1659 CD PRO B 77 0.978 15.673 -0.844 1.00 1.46 C ATOM 0 HA PRO B 77 2.736 15.511 -3.657 1.00 1.39 H new ATOM 0 HB2 PRO B 77 4.242 15.314 -1.372 1.00 1.36 H new ATOM 0 HB3 PRO B 77 3.499 16.849 -1.773 1.00 1.36 H new ATOM 0 HG2 PRO B 77 2.628 14.787 0.222 1.00 1.41 H new ATOM 0 HG3 PRO B 77 2.561 16.534 0.337 1.00 1.41 H new ATOM 0 HD2 PRO B 77 0.388 14.907 -0.341 1.00 1.46 H new ATOM 0 HD3 PRO B 77 0.479 16.626 -0.668 1.00 1.46 H new ATOM 1667 N SER B 78 3.762 13.287 -3.596 1.00 1.25 N ATOM 1668 CA SER B 78 4.178 11.903 -3.764 1.00 1.17 C ATOM 1669 C SER B 78 5.390 11.600 -2.882 1.00 1.05 C ATOM 1670 O SER B 78 6.324 12.402 -2.804 1.00 1.14 O ATOM 1671 CB SER B 78 4.511 11.647 -5.234 1.00 1.28 C ATOM 1672 OG SER B 78 3.656 12.401 -6.082 1.00 1.47 O ATOM 0 H SER B 78 4.250 13.946 -4.203 1.00 1.25 H new ATOM 0 HA SER B 78 3.364 11.245 -3.461 1.00 1.17 H new ATOM 0 HB2 SER B 78 5.550 11.913 -5.428 1.00 1.28 H new ATOM 0 HB3 SER B 78 4.407 10.585 -5.456 1.00 1.28 H new ATOM 0 HG SER B 78 2.729 12.307 -5.779 1.00 1.47 H new ATOM 1678 N TYR B 79 5.366 10.456 -2.212 1.00 1.02 N ATOM 1679 CA TYR B 79 6.458 10.060 -1.331 1.00 0.93 C ATOM 1680 C TYR B 79 7.280 8.942 -1.967 1.00 0.87 C ATOM 1681 O TYR B 79 6.758 8.155 -2.761 1.00 0.85 O ATOM 1682 CB TYR B 79 5.903 9.617 0.026 1.00 0.93 C ATOM 1683 CG TYR B 79 5.253 10.737 0.803 1.00 1.00 C ATOM 1684 CD1 TYR B 79 3.906 11.040 0.636 1.00 1.06 C ATOM 1685 CD2 TYR B 79 5.988 11.496 1.699 1.00 1.15 C ATOM 1686 CE1 TYR B 79 3.316 12.072 1.344 1.00 1.15 C ATOM 1687 CE2 TYR B 79 5.407 12.524 2.411 1.00 1.26 C ATOM 1688 CZ TYR B 79 4.073 12.810 2.230 1.00 1.22 C ATOM 1689 OH TYR B 79 3.495 13.840 2.937 1.00 1.35 O ATOM 0 H TYR B 79 4.600 9.784 -2.262 1.00 1.02 H new ATOM 0 HA TYR B 79 7.113 10.917 -1.177 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.174 8.822 -0.130 1.00 0.93 H new ATOM 0 HB3 TYR B 79 6.713 9.194 0.621 1.00 0.93 H new ATOM 0 HD1 TYR B 79 3.312 10.462 -0.056 1.00 1.06 H new ATOM 0 HD2 TYR B 79 7.036 11.278 1.843 1.00 1.15 H new ATOM 0 HE1 TYR B 79 2.269 12.298 1.204 1.00 1.15 H new ATOM 0 HE2 TYR B 79 5.996 13.102 3.108 1.00 1.26 H new ATOM 0 HH TYR B 79 4.167 14.256 3.517 1.00 1.35 H new ATOM 1699 N LYS B 80 8.561 8.882 -1.620 1.00 0.87 N ATOM 1700 CA LYS B 80 9.461 7.874 -2.173 1.00 0.83 C ATOM 1701 C LYS B 80 10.219 7.145 -1.069 1.00 0.77 C ATOM 1702 O LYS B 80 10.776 7.773 -0.171 1.00 0.81 O ATOM 1703 CB LYS B 80 10.458 8.533 -3.132 1.00 0.87 C ATOM 1704 CG LYS B 80 9.800 9.303 -4.264 1.00 0.99 C ATOM 1705 CD LYS B 80 9.308 8.372 -5.358 1.00 1.08 C ATOM 1706 CE LYS B 80 10.310 8.276 -6.495 1.00 1.41 C ATOM 1707 NZ LYS B 80 10.417 9.550 -7.249 1.00 2.14 N ATOM 0 H LYS B 80 9.001 9.520 -0.957 1.00 0.87 H new ATOM 0 HA LYS B 80 8.858 7.145 -2.714 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.098 9.211 -2.567 1.00 0.87 H new ATOM 0 HB3 LYS B 80 11.104 7.764 -3.555 1.00 0.87 H new ATOM 0 HG2 LYS B 80 8.963 9.882 -3.873 1.00 0.99 H new ATOM 0 HG3 LYS B 80 10.511 10.015 -4.683 1.00 0.99 H new ATOM 0 HD2 LYS B 80 9.131 7.380 -4.942 1.00 1.08 H new ATOM 0 HD3 LYS B 80 8.353 8.731 -5.742 1.00 1.08 H new ATOM 0 HE2 LYS B 80 11.288 8.008 -6.095 1.00 1.41 H new ATOM 0 HE3 LYS B 80 10.013 7.477 -7.174 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 10.747 9.355 -8.216 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 9.485 10.010 -7.287 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 11.094 10.179 -6.773 1.00 2.14 H new ATOM 1721 N LEU B 81 10.232 5.819 -1.143 1.00 0.70 N ATOM 1722 CA LEU B 81 10.933 4.996 -0.160 1.00 0.67 C ATOM 1723 C LEU B 81 12.243 4.467 -0.741 1.00 0.63 C ATOM 1724 O LEU B 81 12.231 3.618 -1.632 1.00 0.60 O ATOM 1725 CB LEU B 81 10.061 3.814 0.270 1.00 0.66 C ATOM 1726 CG LEU B 81 10.155 3.427 1.752 1.00 0.75 C ATOM 1727 CD1 LEU B 81 9.112 2.376 2.089 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.545 2.914 2.101 1.00 1.13 C ATOM 0 H LEU B 81 9.763 5.287 -1.877 1.00 0.70 H new ATOM 0 HA LEU B 81 11.149 5.620 0.707 1.00 0.67 H new ATOM 0 HB2 LEU B 81 9.022 4.049 0.039 1.00 0.66 H new ATOM 0 HB3 LEU B 81 10.333 2.947 -0.332 1.00 0.66 H new ATOM 0 HG LEU B 81 9.965 4.322 2.345 1.00 0.75 H new ATOM 0 HD11 LEU B 81 9.190 2.111 3.143 1.00 0.87 H new ATOM 0 HD12 LEU B 81 8.117 2.773 1.887 1.00 0.87 H new ATOM 0 HD13 LEU B 81 9.279 1.489 1.478 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.580 2.648 3.157 1.00 1.13 H new ATOM 0 HD22 LEU B 81 11.770 2.035 1.498 1.00 1.13 H new ATOM 0 HD23 LEU B 81 12.281 3.692 1.898 1.00 1.13 H new ATOM 1740 N PRO B 82 13.383 4.966 -0.256 1.00 0.68 N ATOM 1741 CA PRO B 82 14.697 4.531 -0.726 1.00 0.70 C ATOM 1742 C PRO B 82 15.147 3.226 -0.064 1.00 0.69 C ATOM 1743 O PRO B 82 15.575 3.221 1.091 1.00 0.73 O ATOM 1744 CB PRO B 82 15.602 5.689 -0.314 1.00 0.77 C ATOM 1745 CG PRO B 82 14.968 6.253 0.914 1.00 0.78 C ATOM 1746 CD PRO B 82 13.484 6.006 0.786 1.00 0.77 C ATOM 0 HA PRO B 82 14.710 4.318 -1.795 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.617 5.345 -0.113 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.670 6.438 -1.103 1.00 0.77 H new ATOM 0 HG2 PRO B 82 15.365 5.774 1.809 1.00 0.78 H new ATOM 0 HG3 PRO B 82 15.177 7.319 1.003 1.00 0.78 H new ATOM 0 HD2 PRO B 82 13.053 5.669 1.729 1.00 0.77 H new ATOM 0 HD3 PRO B 82 12.952 6.913 0.498 1.00 0.77 H new ATOM 1754 N TYR B 83 15.048 2.123 -0.795 1.00 0.69 N ATOM 1755 CA TYR B 83 15.439 0.823 -0.264 1.00 0.70 C ATOM 1756 C TYR B 83 16.743 0.345 -0.891 1.00 0.74 C ATOM 1757 O TYR B 83 16.986 0.559 -2.080 1.00 0.78 O ATOM 1758 CB TYR B 83 14.333 -0.211 -0.507 1.00 0.75 C ATOM 1759 CG TYR B 83 14.683 -1.609 -0.035 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.938 -1.868 1.306 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.762 -2.667 -0.931 1.00 0.87 C ATOM 1762 CE1 TYR B 83 15.267 -3.137 1.740 1.00 0.89 C ATOM 1763 CE2 TYR B 83 15.090 -3.941 -0.505 1.00 0.93 C ATOM 1764 CZ TYR B 83 15.341 -4.170 0.831 1.00 0.94 C ATOM 1765 OH TYR B 83 15.669 -5.438 1.259 1.00 1.02 O ATOM 0 H TYR B 83 14.702 2.102 -1.754 1.00 0.69 H new ATOM 0 HA TYR B 83 15.593 0.933 0.809 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.426 0.116 0.000 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.108 -0.244 -1.573 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.878 -1.062 2.022 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.564 -2.492 -1.978 1.00 0.87 H new ATOM 0 HE1 TYR B 83 15.465 -3.319 2.786 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.149 -4.752 -1.215 1.00 0.93 H new ATOM 0 HH TYR B 83 16.168 -5.380 2.101 1.00 1.02 H new ATOM 1775 N ASN B 84 17.580 -0.282 -0.078 1.00 0.76 N ATOM 1776 CA ASN B 84 18.852 -0.816 -0.538 1.00 0.84 C ATOM 1777 C ASN B 84 18.791 -2.339 -0.550 1.00 0.93 C ATOM 1778 O ASN B 84 18.151 -2.942 0.308 1.00 0.95 O ATOM 1779 CB ASN B 84 19.995 -0.325 0.360 1.00 0.86 C ATOM 1780 CG ASN B 84 21.315 -1.011 0.065 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.822 -1.786 0.872 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.879 -0.749 -1.100 1.00 2.53 N ATOM 0 H ASN B 84 17.398 -0.434 0.914 1.00 0.76 H new ATOM 0 HA ASN B 84 19.044 -0.462 -1.551 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.114 0.751 0.232 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.729 -0.494 1.403 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.761 -1.195 -1.351 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.433 -0.100 -1.748 1.00 2.53 H new ATOM 1789 N THR B 85 19.457 -2.956 -1.520 1.00 1.07 N ATOM 1790 CA THR B 85 19.456 -4.410 -1.655 1.00 1.20 C ATOM 1791 C THR B 85 19.956 -5.123 -0.395 1.00 1.16 C ATOM 1792 O THR B 85 19.535 -6.242 -0.099 1.00 1.39 O ATOM 1793 CB THR B 85 20.314 -4.845 -2.856 1.00 1.34 C ATOM 1794 OG1 THR B 85 21.386 -3.912 -3.056 1.00 1.53 O ATOM 1795 CG2 THR B 85 19.468 -4.940 -4.118 1.00 1.79 C ATOM 0 H THR B 85 20.007 -2.470 -2.228 1.00 1.07 H new ATOM 0 HA THR B 85 18.417 -4.701 -1.813 1.00 1.20 H new ATOM 0 HB THR B 85 20.729 -5.830 -2.643 1.00 1.34 H new ATOM 0 HG1 THR B 85 21.126 -3.255 -3.735 1.00 1.53 H new ATOM 0 HG21 THR B 85 20.095 -5.249 -4.954 1.00 1.79 H new ATOM 0 HG22 THR B 85 18.674 -5.672 -3.970 1.00 1.79 H new ATOM 0 HG23 THR B 85 19.028 -3.967 -4.335 1.00 1.79 H new ATOM 1803 N SER B 86 20.842 -4.474 0.350 1.00 1.23 N ATOM 1804 CA SER B 86 21.391 -5.060 1.564 1.00 1.24 C ATOM 1805 C SER B 86 20.872 -4.346 2.814 1.00 1.22 C ATOM 1806 O SER B 86 21.652 -3.791 3.593 1.00 1.43 O ATOM 1807 CB SER B 86 22.917 -4.999 1.520 1.00 1.53 C ATOM 1808 OG SER B 86 23.396 -5.261 0.211 1.00 1.95 O ATOM 0 H SER B 86 21.195 -3.542 0.134 1.00 1.23 H new ATOM 0 HA SER B 86 21.068 -6.100 1.617 1.00 1.24 H new ATOM 0 HB2 SER B 86 23.255 -4.015 1.845 1.00 1.53 H new ATOM 0 HB3 SER B 86 23.334 -5.726 2.217 1.00 1.53 H new ATOM 0 HG SER B 86 24.375 -5.215 0.206 1.00 1.95 H new ATOM 1814 N ASP B 87 19.556 -4.351 2.996 1.00 1.20 N ATOM 1815 CA ASP B 87 18.943 -3.713 4.155 1.00 1.43 C ATOM 1816 C ASP B 87 17.708 -4.489 4.595 1.00 1.19 C ATOM 1817 O ASP B 87 17.117 -5.232 3.807 1.00 1.33 O ATOM 1818 CB ASP B 87 18.573 -2.261 3.840 1.00 1.99 C ATOM 1819 CG ASP B 87 18.284 -1.450 5.091 1.00 2.54 C ATOM 1820 OD1 ASP B 87 18.820 -1.795 6.169 1.00 2.92 O ATOM 1821 OD2 ASP B 87 17.528 -0.461 5.001 1.00 2.97 O ATOM 0 H ASP B 87 18.894 -4.790 2.356 1.00 1.20 H new ATOM 0 HA ASP B 87 19.667 -3.715 4.970 1.00 1.43 H new ATOM 0 HB2 ASP B 87 19.388 -1.793 3.288 1.00 1.99 H new ATOM 0 HB3 ASP B 87 17.698 -2.245 3.190 1.00 1.99 H new ATOM 1826 N ASP B 88 17.331 -4.322 5.856 1.00 1.18 N ATOM 1827 CA ASP B 88 16.172 -5.008 6.418 1.00 1.09 C ATOM 1828 C ASP B 88 14.890 -4.251 6.079 1.00 0.98 C ATOM 1829 O ASP B 88 14.835 -3.029 6.221 1.00 0.95 O ATOM 1830 CB ASP B 88 16.327 -5.140 7.935 1.00 1.31 C ATOM 1831 CG ASP B 88 15.170 -5.867 8.591 1.00 1.86 C ATOM 1832 OD1 ASP B 88 14.139 -5.223 8.880 1.00 2.12 O ATOM 1833 OD2 ASP B 88 15.293 -7.084 8.836 1.00 2.55 O ATOM 0 H ASP B 88 17.815 -3.712 6.515 1.00 1.18 H new ATOM 0 HA ASP B 88 16.109 -6.005 5.983 1.00 1.09 H new ATOM 0 HB2 ASP B 88 17.253 -5.671 8.155 1.00 1.31 H new ATOM 0 HB3 ASP B 88 16.418 -4.146 8.373 1.00 1.31 H new ATOM 1838 N PRO B 89 13.841 -4.972 5.643 1.00 0.95 N ATOM 1839 CA PRO B 89 12.552 -4.376 5.263 1.00 0.90 C ATOM 1840 C PRO B 89 11.963 -3.446 6.324 1.00 0.89 C ATOM 1841 O PRO B 89 11.413 -2.393 5.997 1.00 0.85 O ATOM 1842 CB PRO B 89 11.630 -5.588 5.050 1.00 0.96 C ATOM 1843 CG PRO B 89 12.365 -6.755 5.618 1.00 0.79 C ATOM 1844 CD PRO B 89 13.821 -6.432 5.478 1.00 1.00 C ATOM 0 HA PRO B 89 12.669 -3.743 4.383 1.00 0.90 H new ATOM 0 HB2 PRO B 89 10.673 -5.445 5.552 1.00 0.96 H new ATOM 0 HB3 PRO B 89 11.416 -5.737 3.992 1.00 0.96 H new ATOM 0 HG2 PRO B 89 12.099 -6.913 6.663 1.00 0.79 H new ATOM 0 HG3 PRO B 89 12.115 -7.672 5.083 1.00 0.79 H new ATOM 0 HD2 PRO B 89 14.423 -6.934 6.236 1.00 1.00 H new ATOM 0 HD3 PRO B 89 14.212 -6.736 4.507 1.00 1.00 H new ATOM 1852 N TRP B 90 12.091 -3.820 7.591 1.00 0.97 N ATOM 1853 CA TRP B 90 11.551 -3.010 8.669 1.00 1.01 C ATOM 1854 C TRP B 90 12.480 -1.849 8.988 1.00 0.99 C ATOM 1855 O TRP B 90 12.029 -0.780 9.400 1.00 0.96 O ATOM 1856 CB TRP B 90 11.307 -3.853 9.920 1.00 1.13 C ATOM 1857 CG TRP B 90 9.907 -4.371 10.013 1.00 1.32 C ATOM 1858 CD1 TRP B 90 8.776 -3.628 10.180 1.00 1.47 C ATOM 1859 CD2 TRP B 90 9.487 -5.737 9.944 1.00 2.16 C ATOM 1860 NE1 TRP B 90 7.677 -4.448 10.220 1.00 2.14 N ATOM 1861 CE2 TRP B 90 8.088 -5.748 10.076 1.00 2.56 C ATOM 1862 CE3 TRP B 90 10.157 -6.952 9.784 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 7.346 -6.925 10.050 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 9.421 -8.121 9.757 1.00 3.79 C ATOM 1865 CH2 TRP B 90 8.027 -8.100 9.890 1.00 4.06 C ATOM 0 H TRP B 90 12.561 -4.673 7.893 1.00 0.97 H new ATOM 0 HA TRP B 90 10.594 -2.608 8.336 1.00 1.01 H new ATOM 0 HB2 TRP B 90 12.001 -4.694 9.925 1.00 1.13 H new ATOM 0 HB3 TRP B 90 11.526 -3.253 10.804 1.00 1.13 H new ATOM 0 HD1 TRP B 90 8.749 -2.552 10.268 1.00 1.47 H new ATOM 0 HE1 TRP B 90 6.712 -4.141 10.338 1.00 2.14 H new ATOM 0 HE3 TRP B 90 11.232 -6.977 9.683 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 6.271 -6.911 10.153 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 9.929 -9.066 9.631 1.00 3.79 H new ATOM 0 HH2 TRP B 90 7.479 -9.030 9.866 1.00 4.06 H new ATOM 1876 N LEU B 91 13.779 -2.059 8.794 1.00 1.03 N ATOM 1877 CA LEU B 91 14.759 -1.013 9.053 1.00 1.05 C ATOM 1878 C LEU B 91 14.589 0.122 8.054 1.00 0.97 C ATOM 1879 O LEU B 91 14.586 1.292 8.433 1.00 0.99 O ATOM 1880 CB LEU B 91 16.183 -1.563 8.995 1.00 1.14 C ATOM 1881 CG LEU B 91 16.611 -2.385 10.211 1.00 1.32 C ATOM 1882 CD1 LEU B 91 18.059 -2.821 10.070 1.00 1.39 C ATOM 1883 CD2 LEU B 91 16.417 -1.593 11.498 1.00 1.43 C ATOM 0 H LEU B 91 14.174 -2.938 8.461 1.00 1.03 H new ATOM 0 HA LEU B 91 14.589 -0.630 10.059 1.00 1.05 H new ATOM 0 HB2 LEU B 91 16.280 -2.183 8.104 1.00 1.14 H new ATOM 0 HB3 LEU B 91 16.874 -0.728 8.879 1.00 1.14 H new ATOM 0 HG LEU B 91 15.981 -3.273 10.261 1.00 1.32 H new ATOM 0 HD11 LEU B 91 18.350 -3.405 10.943 1.00 1.39 H new ATOM 0 HD12 LEU B 91 18.170 -3.430 9.173 1.00 1.39 H new ATOM 0 HD13 LEU B 91 18.698 -1.941 9.993 1.00 1.39 H new ATOM 0 HD21 LEU B 91 16.728 -2.199 12.349 1.00 1.43 H new ATOM 0 HD22 LEU B 91 17.018 -0.685 11.460 1.00 1.43 H new ATOM 0 HD23 LEU B 91 15.365 -1.328 11.607 1.00 1.43 H new ATOM 1895 N THR B 92 14.441 -0.225 6.780 1.00 0.92 N ATOM 1896 CA THR B 92 14.245 0.777 5.743 1.00 0.88 C ATOM 1897 C THR B 92 12.929 1.509 5.965 1.00 0.81 C ATOM 1898 O THR B 92 12.828 2.720 5.752 1.00 0.82 O ATOM 1899 CB THR B 92 14.229 0.153 4.339 1.00 0.92 C ATOM 1900 OG1 THR B 92 15.086 -0.988 4.302 1.00 0.97 O ATOM 1901 CG2 THR B 92 14.679 1.163 3.300 1.00 1.06 C ATOM 0 H THR B 92 14.453 -1.188 6.443 1.00 0.92 H new ATOM 0 HA THR B 92 15.083 1.472 5.806 1.00 0.88 H new ATOM 0 HB THR B 92 13.208 -0.154 4.111 1.00 0.92 H new ATOM 0 HG1 THR B 92 16.020 -0.697 4.353 1.00 0.97 H new ATOM 0 HG21 THR B 92 14.661 0.702 2.313 1.00 1.06 H new ATOM 0 HG22 THR B 92 14.007 2.021 3.312 1.00 1.06 H new ATOM 0 HG23 THR B 92 15.693 1.492 3.528 1.00 1.06 H new ATOM 1909 N ALA B 93 11.924 0.757 6.394 1.00 0.79 N ATOM 1910 CA ALA B 93 10.614 1.316 6.672 1.00 0.79 C ATOM 1911 C ALA B 93 10.724 2.339 7.791 1.00 0.84 C ATOM 1912 O ALA B 93 10.187 3.442 7.696 1.00 0.84 O ATOM 1913 CB ALA B 93 9.640 0.209 7.050 1.00 0.82 C ATOM 0 H ALA B 93 11.995 -0.247 6.557 1.00 0.79 H new ATOM 0 HA ALA B 93 10.236 1.812 5.778 1.00 0.79 H new ATOM 0 HB1 ALA B 93 8.661 0.641 7.256 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.558 -0.500 6.226 1.00 0.82 H new ATOM 0 HB3 ALA B 93 10.003 -0.307 7.938 1.00 0.82 H new ATOM 1919 N TYR B 94 11.447 1.962 8.840 1.00 0.93 N ATOM 1920 CA TYR B 94 11.658 2.833 9.985 1.00 1.04 C ATOM 1921 C TYR B 94 12.470 4.053 9.570 1.00 1.05 C ATOM 1922 O TYR B 94 12.210 5.169 10.018 1.00 1.10 O ATOM 1923 CB TYR B 94 12.382 2.074 11.100 1.00 1.17 C ATOM 1924 CG TYR B 94 12.060 2.582 12.485 1.00 1.28 C ATOM 1925 CD1 TYR B 94 12.773 3.637 13.040 1.00 1.44 C ATOM 1926 CD2 TYR B 94 11.047 2.005 13.235 1.00 1.35 C ATOM 1927 CE1 TYR B 94 12.482 4.101 14.306 1.00 1.57 C ATOM 1928 CE2 TYR B 94 10.749 2.464 14.501 1.00 1.50 C ATOM 1929 CZ TYR B 94 11.470 3.512 15.031 1.00 1.57 C ATOM 1930 OH TYR B 94 11.184 3.968 16.295 1.00 1.76 O ATOM 0 H TYR B 94 11.899 1.051 8.918 1.00 0.93 H new ATOM 0 HA TYR B 94 10.689 3.164 10.358 1.00 1.04 H new ATOM 0 HB2 TYR B 94 12.119 1.018 11.039 1.00 1.17 H new ATOM 0 HB3 TYR B 94 13.457 2.145 10.937 1.00 1.17 H new ATOM 0 HD1 TYR B 94 13.566 4.100 12.472 1.00 1.44 H new ATOM 0 HD2 TYR B 94 10.482 1.183 12.821 1.00 1.35 H new ATOM 0 HE1 TYR B 94 13.045 4.922 14.726 1.00 1.57 H new ATOM 0 HE2 TYR B 94 9.956 2.005 15.073 1.00 1.50 H new ATOM 0 HH TYR B 94 10.443 3.448 16.671 1.00 1.76 H new ATOM 1940 N ASN B 95 13.448 3.822 8.700 1.00 1.03 N ATOM 1941 CA ASN B 95 14.311 4.881 8.188 1.00 1.08 C ATOM 1942 C ASN B 95 13.478 5.999 7.567 1.00 1.04 C ATOM 1943 O ASN B 95 13.665 7.172 7.879 1.00 1.12 O ATOM 1944 CB ASN B 95 15.284 4.300 7.155 1.00 1.08 C ATOM 1945 CG ASN B 95 16.173 5.344 6.505 1.00 1.09 C ATOM 1946 OD1 ASN B 95 16.552 6.337 7.125 1.00 1.22 O ATOM 1947 ND2 ASN B 95 16.516 5.121 5.246 1.00 1.47 N ATOM 0 H ASN B 95 13.665 2.896 8.330 1.00 1.03 H new ATOM 0 HA ASN B 95 14.881 5.303 9.015 1.00 1.08 H new ATOM 0 HB2 ASN B 95 15.911 3.551 7.639 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.715 3.786 6.380 1.00 1.08 H new ATOM 0 HD21 ASN B 95 17.115 5.785 4.755 1.00 1.47 H new ATOM 0 HD22 ASN B 95 16.181 4.285 4.766 1.00 1.47 H new ATOM 1954 N PHE B 96 12.538 5.625 6.710 1.00 0.93 N ATOM 1955 CA PHE B 96 11.676 6.600 6.060 1.00 0.91 C ATOM 1956 C PHE B 96 10.645 7.146 7.045 1.00 0.91 C ATOM 1957 O PHE B 96 10.284 8.328 6.993 1.00 0.92 O ATOM 1958 CB PHE B 96 10.970 5.974 4.852 1.00 0.88 C ATOM 1959 CG PHE B 96 10.017 6.912 4.161 1.00 0.97 C ATOM 1960 CD1 PHE B 96 10.495 7.995 3.436 1.00 1.16 C ATOM 1961 CD2 PHE B 96 8.647 6.721 4.246 1.00 0.99 C ATOM 1962 CE1 PHE B 96 9.623 8.864 2.809 1.00 1.32 C ATOM 1963 CE2 PHE B 96 7.771 7.590 3.623 1.00 1.19 C ATOM 1964 CZ PHE B 96 8.259 8.661 2.903 1.00 1.33 C ATOM 0 H PHE B 96 12.354 4.656 6.450 1.00 0.93 H new ATOM 0 HA PHE B 96 12.298 7.425 5.712 1.00 0.91 H new ATOM 0 HB2 PHE B 96 11.720 5.639 4.136 1.00 0.88 H new ATOM 0 HB3 PHE B 96 10.424 5.089 5.179 1.00 0.88 H new ATOM 0 HD1 PHE B 96 11.560 8.160 3.361 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.259 5.883 4.806 1.00 0.99 H new ATOM 0 HE1 PHE B 96 10.007 9.702 2.246 1.00 1.32 H new ATOM 0 HE2 PHE B 96 6.706 7.431 3.700 1.00 1.19 H new ATOM 0 HZ PHE B 96 7.576 9.340 2.414 1.00 1.33 H new ATOM 1974 N LEU B 97 10.186 6.279 7.944 1.00 0.93 N ATOM 1975 CA LEU B 97 9.196 6.649 8.953 1.00 1.00 C ATOM 1976 C LEU B 97 9.668 7.837 9.786 1.00 1.09 C ATOM 1977 O LEU B 97 8.935 8.812 9.963 1.00 1.10 O ATOM 1978 CB LEU B 97 8.916 5.460 9.874 1.00 1.06 C ATOM 1979 CG LEU B 97 7.619 5.547 10.678 1.00 1.28 C ATOM 1980 CD1 LEU B 97 6.451 5.019 9.862 1.00 1.30 C ATOM 1981 CD2 LEU B 97 7.754 4.785 11.986 1.00 1.48 C ATOM 0 H LEU B 97 10.487 5.306 7.994 1.00 0.93 H new ATOM 0 HA LEU B 97 8.282 6.935 8.433 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.890 4.553 9.271 1.00 1.06 H new ATOM 0 HB3 LEU B 97 9.749 5.356 10.569 1.00 1.06 H new ATOM 0 HG LEU B 97 7.424 6.594 10.912 1.00 1.28 H new ATOM 0 HD11 LEU B 97 5.536 5.088 10.450 1.00 1.30 H new ATOM 0 HD12 LEU B 97 6.345 5.612 8.953 1.00 1.30 H new ATOM 0 HD13 LEU B 97 6.634 3.978 9.597 1.00 1.30 H new ATOM 0 HD21 LEU B 97 6.822 4.857 12.547 1.00 1.48 H new ATOM 0 HD22 LEU B 97 7.972 3.738 11.776 1.00 1.48 H new ATOM 0 HD23 LEU B 97 8.565 5.213 12.575 1.00 1.48 H new ATOM 1993 N GLN B 98 10.892 7.752 10.292 1.00 1.19 N ATOM 1994 CA GLN B 98 11.456 8.816 11.110 1.00 1.31 C ATOM 1995 C GLN B 98 11.978 9.959 10.244 1.00 1.30 C ATOM 1996 O GLN B 98 12.216 11.065 10.731 1.00 1.39 O ATOM 1997 CB GLN B 98 12.580 8.271 11.995 1.00 1.43 C ATOM 1998 CG GLN B 98 13.719 7.627 11.216 1.00 2.02 C ATOM 1999 CD GLN B 98 14.849 7.155 12.108 1.00 2.69 C ATOM 2000 OE1 GLN B 98 14.645 6.832 13.279 1.00 2.73 O ATOM 2001 NE2 GLN B 98 16.053 7.096 11.557 1.00 3.60 N ATOM 0 H GLN B 98 11.513 6.956 10.149 1.00 1.19 H new ATOM 0 HA GLN B 98 10.661 9.206 11.746 1.00 1.31 H new ATOM 0 HB2 GLN B 98 12.980 9.085 12.600 1.00 1.43 H new ATOM 0 HB3 GLN B 98 12.163 7.537 12.684 1.00 1.43 H new ATOM 0 HG2 GLN B 98 13.332 6.780 10.649 1.00 2.02 H new ATOM 0 HG3 GLN B 98 14.109 8.343 10.493 1.00 2.02 H new ATOM 0 HE21 GLN B 98 16.183 7.372 10.584 1.00 3.60 H new ATOM 0 HE22 GLN B 98 16.850 6.774 12.106 1.00 3.60 H new ATOM 2010 N LYS B 99 12.156 9.689 8.959 1.00 1.21 N ATOM 2011 CA LYS B 99 12.649 10.693 8.027 1.00 1.23 C ATOM 2012 C LYS B 99 11.558 11.696 7.677 1.00 1.18 C ATOM 2013 O LYS B 99 11.782 12.906 7.716 1.00 1.22 O ATOM 2014 CB LYS B 99 13.179 10.027 6.751 1.00 1.19 C ATOM 2015 CG LYS B 99 13.692 11.007 5.708 1.00 1.18 C ATOM 2016 CD LYS B 99 12.744 11.114 4.520 1.00 1.26 C ATOM 2017 CE LYS B 99 13.202 12.178 3.536 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.154 12.504 2.532 1.00 1.59 N ATOM 0 H LYS B 99 11.966 8.780 8.537 1.00 1.21 H new ATOM 0 HA LYS B 99 13.465 11.228 8.512 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.984 9.343 7.018 1.00 1.19 H new ATOM 0 HB3 LYS B 99 12.384 9.426 6.310 1.00 1.19 H new ATOM 0 HG2 LYS B 99 13.818 11.990 6.163 1.00 1.18 H new ATOM 0 HG3 LYS B 99 14.675 10.688 5.361 1.00 1.18 H new ATOM 0 HD2 LYS B 99 12.683 10.151 4.014 1.00 1.26 H new ATOM 0 HD3 LYS B 99 11.741 11.352 4.874 1.00 1.26 H new ATOM 0 HE2 LYS B 99 13.474 13.082 4.081 1.00 1.39 H new ATOM 0 HE3 LYS B 99 14.100 11.833 3.023 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.133 13.532 2.373 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 12.368 12.019 1.637 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 11.227 12.190 2.883 1.00 1.59 H new ATOM 2032 N ASN B 100 10.377 11.196 7.351 1.00 1.12 N ATOM 2033 CA ASN B 100 9.269 12.063 6.970 1.00 1.11 C ATOM 2034 C ASN B 100 8.274 12.254 8.106 1.00 1.13 C ATOM 2035 O ASN B 100 7.240 12.897 7.915 1.00 1.12 O ATOM 2036 CB ASN B 100 8.557 11.501 5.743 1.00 1.07 C ATOM 2037 CG ASN B 100 8.791 12.346 4.506 1.00 1.32 C ATOM 2038 OD1 ASN B 100 9.760 12.141 3.773 1.00 1.75 O ATOM 2039 ND2 ASN B 100 7.909 13.301 4.266 1.00 1.49 N ATOM 0 H ASN B 100 10.159 10.200 7.342 1.00 1.12 H new ATOM 0 HA ASN B 100 9.689 13.040 6.732 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.905 10.485 5.557 1.00 1.07 H new ATOM 0 HB3 ASN B 100 7.487 11.441 5.942 1.00 1.07 H new ATOM 0 HD21 ASN B 100 8.017 13.901 3.448 1.00 1.49 H new ATOM 0 HD22 ASN B 100 7.120 13.438 4.898 1.00 1.49 H new ATOM 2046 N ASP B 101 8.585 11.695 9.276 1.00 1.19 N ATOM 2047 CA ASP B 101 7.721 11.812 10.458 1.00 1.24 C ATOM 2048 C ASP B 101 6.341 11.214 10.178 1.00 1.23 C ATOM 2049 O ASP B 101 5.349 11.932 10.043 1.00 1.33 O ATOM 2050 CB ASP B 101 7.593 13.282 10.889 1.00 1.27 C ATOM 2051 CG ASP B 101 6.901 13.455 12.228 1.00 1.36 C ATOM 2052 OD1 ASP B 101 7.486 13.057 13.260 1.00 1.84 O ATOM 2053 OD2 ASP B 101 5.781 14.013 12.261 1.00 1.79 O ATOM 0 H ASP B 101 9.434 11.152 9.434 1.00 1.19 H new ATOM 0 HA ASP B 101 8.179 11.252 11.273 1.00 1.24 H new ATOM 0 HB2 ASP B 101 8.587 13.726 10.941 1.00 1.27 H new ATOM 0 HB3 ASP B 101 7.038 13.830 10.127 1.00 1.27 H new ATOM 2058 N LEU B 102 6.284 9.897 10.072 1.00 1.15 N ATOM 2059 CA LEU B 102 5.030 9.208 9.792 1.00 1.17 C ATOM 2060 C LEU B 102 4.503 8.473 11.023 1.00 1.23 C ATOM 2061 O LEU B 102 5.121 8.491 12.090 1.00 1.28 O ATOM 2062 CB LEU B 102 5.215 8.222 8.632 1.00 1.11 C ATOM 2063 CG LEU B 102 4.560 8.629 7.308 1.00 1.26 C ATOM 2064 CD1 LEU B 102 3.052 8.774 7.473 1.00 1.96 C ATOM 2065 CD2 LEU B 102 5.169 9.922 6.785 1.00 1.50 C ATOM 0 H LEU B 102 7.090 9.281 10.175 1.00 1.15 H new ATOM 0 HA LEU B 102 4.294 9.962 9.512 1.00 1.17 H new ATOM 0 HB2 LEU B 102 6.283 8.085 8.462 1.00 1.11 H new ATOM 0 HB3 LEU B 102 4.814 7.254 8.933 1.00 1.11 H new ATOM 0 HG LEU B 102 4.748 7.841 6.579 1.00 1.26 H new ATOM 0 HD11 LEU B 102 2.608 9.063 6.521 1.00 1.96 H new ATOM 0 HD12 LEU B 102 2.628 7.823 7.797 1.00 1.96 H new ATOM 0 HD13 LEU B 102 2.840 9.539 8.220 1.00 1.96 H new ATOM 0 HD21 LEU B 102 4.691 10.195 5.844 1.00 1.50 H new ATOM 0 HD22 LEU B 102 5.015 10.718 7.514 1.00 1.50 H new ATOM 0 HD23 LEU B 102 6.237 9.781 6.622 1.00 1.50 H new ATOM 2077 N ASN B 103 3.354 7.827 10.860 1.00 1.25 N ATOM 2078 CA ASN B 103 2.718 7.082 11.940 1.00 1.31 C ATOM 2079 C ASN B 103 3.123 5.610 11.878 1.00 1.23 C ATOM 2080 O ASN B 103 3.210 5.040 10.791 1.00 1.14 O ATOM 2081 CB ASN B 103 1.194 7.216 11.838 1.00 1.37 C ATOM 2082 CG ASN B 103 0.460 6.534 12.975 1.00 1.43 C ATOM 2083 OD1 ASN B 103 0.160 5.342 12.910 1.00 1.34 O ATOM 2084 ND2 ASN B 103 0.175 7.285 14.025 1.00 1.84 N ATOM 0 H ASN B 103 2.839 7.805 9.980 1.00 1.25 H new ATOM 0 HA ASN B 103 3.047 7.493 12.894 1.00 1.31 H new ATOM 0 HB2 ASN B 103 0.928 8.273 11.824 1.00 1.37 H new ATOM 0 HB3 ASN B 103 0.860 6.791 10.891 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -0.313 6.880 14.824 1.00 1.84 H new ATOM 0 HD22 ASN B 103 0.443 8.269 14.036 1.00 1.84 H new ATOM 2091 N PRO B 104 3.384 4.981 13.044 1.00 1.29 N ATOM 2092 CA PRO B 104 3.787 3.566 13.137 1.00 1.25 C ATOM 2093 C PRO B 104 2.895 2.602 12.347 1.00 1.19 C ATOM 2094 O PRO B 104 3.356 1.548 11.918 1.00 1.15 O ATOM 2095 CB PRO B 104 3.690 3.271 14.633 1.00 1.34 C ATOM 2096 CG PRO B 104 3.939 4.582 15.287 1.00 1.55 C ATOM 2097 CD PRO B 104 3.339 5.619 14.377 1.00 1.41 C ATOM 0 HA PRO B 104 4.777 3.418 12.705 1.00 1.25 H new ATOM 0 HB2 PRO B 104 2.709 2.876 14.897 1.00 1.34 H new ATOM 0 HB3 PRO B 104 4.426 2.528 14.940 1.00 1.34 H new ATOM 0 HG2 PRO B 104 3.481 4.618 16.276 1.00 1.55 H new ATOM 0 HG3 PRO B 104 5.007 4.753 15.424 1.00 1.55 H new ATOM 0 HD2 PRO B 104 2.318 5.866 14.669 1.00 1.41 H new ATOM 0 HD3 PRO B 104 3.910 6.548 14.396 1.00 1.41 H new ATOM 2105 N MET B 105 1.625 2.953 12.155 1.00 1.21 N ATOM 2106 CA MET B 105 0.707 2.093 11.401 1.00 1.20 C ATOM 2107 C MET B 105 1.164 1.955 9.948 1.00 1.13 C ATOM 2108 O MET B 105 1.019 0.898 9.330 1.00 1.16 O ATOM 2109 CB MET B 105 -0.720 2.649 11.451 1.00 1.27 C ATOM 2110 CG MET B 105 -1.695 1.948 10.509 1.00 1.26 C ATOM 2111 SD MET B 105 -2.071 0.250 11.009 1.00 1.64 S ATOM 2112 CE MET B 105 -3.292 0.540 12.288 1.00 1.78 C ATOM 0 H MET B 105 1.209 3.816 12.505 1.00 1.21 H new ATOM 0 HA MET B 105 0.714 1.106 11.864 1.00 1.20 H new ATOM 0 HB2 MET B 105 -1.095 2.567 12.471 1.00 1.27 H new ATOM 0 HB3 MET B 105 -0.694 3.711 11.205 1.00 1.27 H new ATOM 0 HG2 MET B 105 -2.622 2.520 10.463 1.00 1.26 H new ATOM 0 HG3 MET B 105 -1.276 1.940 9.503 1.00 1.26 H new ATOM 0 HE1 MET B 105 -3.624 -0.414 12.697 1.00 1.78 H new ATOM 0 HE2 MET B 105 -2.851 1.142 13.083 1.00 1.78 H new ATOM 0 HE3 MET B 105 -4.145 1.069 11.863 1.00 1.78 H new ATOM 2122 N PHE B 106 1.751 3.020 9.417 1.00 1.06 N ATOM 2123 CA PHE B 106 2.225 3.031 8.039 1.00 1.02 C ATOM 2124 C PHE B 106 3.474 2.176 7.878 1.00 0.94 C ATOM 2125 O PHE B 106 3.812 1.768 6.766 1.00 0.87 O ATOM 2126 CB PHE B 106 2.505 4.464 7.585 1.00 1.07 C ATOM 2127 CG PHE B 106 1.316 5.136 6.962 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.339 5.717 7.752 1.00 1.30 C ATOM 2129 CD2 PHE B 106 1.174 5.183 5.583 1.00 1.28 C ATOM 2130 CE1 PHE B 106 -0.760 6.332 7.182 1.00 1.45 C ATOM 2131 CE2 PHE B 106 0.079 5.798 5.006 1.00 1.47 C ATOM 2132 CZ PHE B 106 -0.889 6.373 5.806 1.00 1.49 C ATOM 0 H PHE B 106 1.911 3.891 9.923 1.00 1.06 H new ATOM 0 HA PHE B 106 1.441 2.606 7.412 1.00 1.02 H new ATOM 0 HB2 PHE B 106 2.837 5.050 8.442 1.00 1.07 H new ATOM 0 HB3 PHE B 106 3.326 4.456 6.868 1.00 1.07 H new ATOM 0 HD1 PHE B 106 0.437 5.689 8.827 1.00 1.30 H new ATOM 0 HD2 PHE B 106 1.928 4.734 4.953 1.00 1.28 H new ATOM 0 HE1 PHE B 106 -1.516 6.779 7.810 1.00 1.45 H new ATOM 0 HE2 PHE B 106 -0.020 5.829 3.931 1.00 1.47 H new ATOM 0 HZ PHE B 106 -1.746 6.854 5.357 1.00 1.49 H new ATOM 2142 N LEU B 107 4.143 1.896 8.994 1.00 0.98 N ATOM 2143 CA LEU B 107 5.356 1.086 8.987 1.00 0.93 C ATOM 2144 C LEU B 107 5.067 -0.305 8.430 1.00 0.89 C ATOM 2145 O LEU B 107 5.861 -0.858 7.676 1.00 0.84 O ATOM 2146 CB LEU B 107 5.926 0.968 10.407 1.00 1.01 C ATOM 2147 CG LEU B 107 7.216 0.157 10.531 1.00 0.95 C ATOM 2148 CD1 LEU B 107 8.428 1.063 10.408 1.00 0.94 C ATOM 2149 CD2 LEU B 107 7.246 -0.598 11.850 1.00 1.08 C ATOM 0 H LEU B 107 3.862 2.221 9.919 1.00 0.98 H new ATOM 0 HA LEU B 107 6.091 1.576 8.348 1.00 0.93 H new ATOM 0 HB2 LEU B 107 6.110 1.971 10.791 1.00 1.01 H new ATOM 0 HB3 LEU B 107 5.169 0.515 11.047 1.00 1.01 H new ATOM 0 HG LEU B 107 7.246 -0.569 9.719 1.00 0.95 H new ATOM 0 HD11 LEU B 107 9.337 0.469 10.499 1.00 0.94 H new ATOM 0 HD12 LEU B 107 8.414 1.559 9.438 1.00 0.94 H new ATOM 0 HD13 LEU B 107 8.404 1.812 11.199 1.00 0.94 H new ATOM 0 HD21 LEU B 107 8.171 -1.170 11.921 1.00 1.08 H new ATOM 0 HD22 LEU B 107 7.193 0.111 12.676 1.00 1.08 H new ATOM 0 HD23 LEU B 107 6.395 -1.277 11.900 1.00 1.08 H new ATOM 2161 N ASP B 108 3.914 -0.852 8.792 1.00 0.96 N ATOM 2162 CA ASP B 108 3.512 -2.178 8.335 1.00 0.96 C ATOM 2163 C ASP B 108 3.316 -2.194 6.821 1.00 0.90 C ATOM 2164 O ASP B 108 3.793 -3.095 6.131 1.00 0.88 O ATOM 2165 CB ASP B 108 2.221 -2.613 9.040 1.00 1.09 C ATOM 2166 CG ASP B 108 1.606 -3.854 8.422 1.00 1.08 C ATOM 2167 OD1 ASP B 108 2.255 -4.919 8.431 1.00 1.22 O ATOM 2168 OD2 ASP B 108 0.461 -3.772 7.929 1.00 1.40 O ATOM 0 H ASP B 108 3.237 -0.396 9.404 1.00 0.96 H new ATOM 0 HA ASP B 108 4.306 -2.881 8.585 1.00 0.96 H new ATOM 0 HB2 ASP B 108 2.433 -2.803 10.092 1.00 1.09 H new ATOM 0 HB3 ASP B 108 1.499 -1.797 9.002 1.00 1.09 H new ATOM 2173 N GLN B 109 2.642 -1.172 6.312 1.00 0.91 N ATOM 2174 CA GLN B 109 2.365 -1.066 4.885 1.00 0.90 C ATOM 2175 C GLN B 109 3.651 -0.956 4.065 1.00 0.86 C ATOM 2176 O GLN B 109 3.853 -1.704 3.109 1.00 0.91 O ATOM 2177 CB GLN B 109 1.471 0.145 4.607 1.00 0.96 C ATOM 2178 CG GLN B 109 1.365 0.495 3.127 1.00 0.92 C ATOM 2179 CD GLN B 109 0.661 1.813 2.875 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -0.548 1.852 2.648 1.00 1.34 O ATOM 2181 NE2 GLN B 109 1.412 2.901 2.902 1.00 1.66 N ATOM 0 H GLN B 109 2.275 -0.400 6.869 1.00 0.91 H new ATOM 0 HA GLN B 109 1.849 -1.978 4.584 1.00 0.90 H new ATOM 0 HB2 GLN B 109 0.473 -0.053 4.998 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.861 1.007 5.149 1.00 0.96 H new ATOM 0 HG2 GLN B 109 2.366 0.537 2.697 1.00 0.92 H new ATOM 0 HG3 GLN B 109 0.829 -0.301 2.609 1.00 0.92 H new ATOM 0 HE21 GLN B 109 2.411 2.826 3.094 1.00 1.66 H new ATOM 0 HE22 GLN B 109 0.992 3.815 2.731 1.00 1.66 H new ATOM 2190 N VAL B 110 4.521 -0.031 4.448 1.00 0.80 N ATOM 2191 CA VAL B 110 5.763 0.178 3.715 1.00 0.79 C ATOM 2192 C VAL B 110 6.715 -1.011 3.855 1.00 0.76 C ATOM 2193 O VAL B 110 7.411 -1.359 2.905 1.00 0.79 O ATOM 2194 CB VAL B 110 6.474 1.483 4.134 1.00 0.80 C ATOM 2195 CG1 VAL B 110 5.668 2.696 3.692 1.00 0.91 C ATOM 2196 CG2 VAL B 110 6.714 1.527 5.631 1.00 0.75 C ATOM 0 H VAL B 110 4.392 0.581 5.254 1.00 0.80 H new ATOM 0 HA VAL B 110 5.484 0.270 2.665 1.00 0.79 H new ATOM 0 HB VAL B 110 7.444 1.505 3.638 1.00 0.80 H new ATOM 0 HG11 VAL B 110 6.184 3.606 3.996 1.00 0.91 H new ATOM 0 HG12 VAL B 110 5.559 2.685 2.607 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.682 2.666 4.156 1.00 0.91 H new ATOM 0 HG21 VAL B 110 7.216 2.459 5.892 1.00 0.75 H new ATOM 0 HG22 VAL B 110 5.760 1.470 6.154 1.00 0.75 H new ATOM 0 HG23 VAL B 110 7.339 0.684 5.924 1.00 0.75 H new ATOM 2206 N ALA B 111 6.735 -1.638 5.027 1.00 0.75 N ATOM 2207 CA ALA B 111 7.596 -2.791 5.248 1.00 0.75 C ATOM 2208 C ALA B 111 7.112 -3.971 4.421 1.00 0.75 C ATOM 2209 O ALA B 111 7.907 -4.672 3.792 1.00 0.75 O ATOM 2210 CB ALA B 111 7.638 -3.161 6.722 1.00 0.77 C ATOM 0 H ALA B 111 6.169 -1.369 5.832 1.00 0.75 H new ATOM 0 HA ALA B 111 8.607 -2.530 4.934 1.00 0.75 H new ATOM 0 HB1 ALA B 111 8.288 -4.025 6.862 1.00 0.77 H new ATOM 0 HB2 ALA B 111 8.024 -2.320 7.297 1.00 0.77 H new ATOM 0 HB3 ALA B 111 6.632 -3.404 7.065 1.00 0.77 H new ATOM 2216 N LYS B 112 5.797 -4.173 4.412 1.00 0.76 N ATOM 2217 CA LYS B 112 5.191 -5.261 3.655 1.00 0.77 C ATOM 2218 C LYS B 112 5.481 -5.107 2.165 1.00 0.78 C ATOM 2219 O LYS B 112 5.749 -6.089 1.476 1.00 0.83 O ATOM 2220 CB LYS B 112 3.681 -5.301 3.887 1.00 0.80 C ATOM 2221 CG LYS B 112 3.251 -6.210 5.028 1.00 0.85 C ATOM 2222 CD LYS B 112 1.771 -6.535 4.936 1.00 0.93 C ATOM 2223 CE LYS B 112 1.314 -7.391 6.101 1.00 1.04 C ATOM 2224 NZ LYS B 112 0.676 -6.578 7.167 1.00 1.14 N ATOM 0 H LYS B 112 5.130 -3.594 4.923 1.00 0.76 H new ATOM 0 HA LYS B 112 5.627 -6.197 4.003 1.00 0.77 H new ATOM 0 HB2 LYS B 112 3.329 -4.290 4.090 1.00 0.80 H new ATOM 0 HB3 LYS B 112 3.192 -5.631 2.970 1.00 0.80 H new ATOM 0 HG2 LYS B 112 3.832 -7.132 5.002 1.00 0.85 H new ATOM 0 HG3 LYS B 112 3.462 -5.727 5.982 1.00 0.85 H new ATOM 0 HD2 LYS B 112 1.195 -5.610 4.916 1.00 0.93 H new ATOM 0 HD3 LYS B 112 1.570 -7.056 4.000 1.00 0.93 H new ATOM 0 HE2 LYS B 112 0.608 -8.142 5.745 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.168 -7.927 6.515 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.088 -7.192 7.766 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 1.412 -6.129 7.748 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 0.080 -5.844 6.734 1.00 1.14 H new ATOM 2238 N PHE B 113 5.435 -3.868 1.684 1.00 0.78 N ATOM 2239 CA PHE B 113 5.702 -3.573 0.279 1.00 0.83 C ATOM 2240 C PHE B 113 7.099 -4.054 -0.099 1.00 0.84 C ATOM 2241 O PHE B 113 7.309 -4.640 -1.162 1.00 0.95 O ATOM 2242 CB PHE B 113 5.582 -2.068 0.028 1.00 0.87 C ATOM 2243 CG PHE B 113 4.946 -1.711 -1.289 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.551 -2.056 -2.487 1.00 1.29 C ATOM 2245 CD2 PHE B 113 3.745 -1.019 -1.325 1.00 1.76 C ATOM 2246 CE1 PHE B 113 4.970 -1.717 -3.696 1.00 1.57 C ATOM 2247 CE2 PHE B 113 3.159 -0.679 -2.528 1.00 2.06 C ATOM 2248 CZ PHE B 113 3.774 -1.028 -3.716 1.00 1.78 C ATOM 0 H PHE B 113 5.214 -3.048 2.249 1.00 0.78 H new ATOM 0 HA PHE B 113 4.969 -4.094 -0.337 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.998 -1.622 0.833 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.576 -1.623 0.071 1.00 0.87 H new ATOM 0 HD1 PHE B 113 6.487 -2.596 -2.477 1.00 1.29 H new ATOM 0 HD2 PHE B 113 3.262 -0.742 -0.400 1.00 1.76 H new ATOM 0 HE1 PHE B 113 5.452 -1.991 -4.623 1.00 1.57 H new ATOM 0 HE2 PHE B 113 2.222 -0.142 -2.541 1.00 2.06 H new ATOM 0 HZ PHE B 113 3.319 -0.762 -4.659 1.00 1.78 H new ATOM 2258 N ILE B 114 8.048 -3.808 0.792 1.00 0.75 N ATOM 2259 CA ILE B 114 9.422 -4.221 0.576 1.00 0.79 C ATOM 2260 C ILE B 114 9.538 -5.740 0.649 1.00 0.85 C ATOM 2261 O ILE B 114 10.181 -6.361 -0.199 1.00 0.93 O ATOM 2262 CB ILE B 114 10.366 -3.582 1.617 1.00 0.76 C ATOM 2263 CG1 ILE B 114 10.335 -2.055 1.494 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.785 -4.107 1.446 1.00 0.89 C ATOM 2265 CD1 ILE B 114 11.009 -1.333 2.643 1.00 0.69 C ATOM 0 H ILE B 114 7.888 -3.322 1.674 1.00 0.75 H new ATOM 0 HA ILE B 114 9.718 -3.882 -0.417 1.00 0.79 H new ATOM 0 HB ILE B 114 10.021 -3.856 2.614 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.820 -1.765 0.562 1.00 0.72 H new ATOM 0 HG13 ILE B 114 9.298 -1.726 1.430 1.00 0.72 H new ATOM 0 HG21 ILE B 114 12.436 -3.645 2.189 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.791 -5.189 1.580 1.00 0.89 H new ATOM 0 HG23 ILE B 114 12.145 -3.864 0.446 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.946 -0.257 2.484 1.00 0.69 H new ATOM 0 HD12 ILE B 114 10.511 -1.591 3.577 1.00 0.69 H new ATOM 0 HD13 ILE B 114 12.056 -1.631 2.696 1.00 0.69 H new ATOM 2277 N ILE B 115 8.901 -6.330 1.658 1.00 0.84 N ATOM 2278 CA ILE B 115 8.933 -7.780 1.855 1.00 0.90 C ATOM 2279 C ILE B 115 8.323 -8.525 0.669 1.00 0.98 C ATOM 2280 O ILE B 115 8.929 -9.450 0.138 1.00 1.05 O ATOM 2281 CB ILE B 115 8.190 -8.194 3.148 1.00 0.89 C ATOM 2282 CG1 ILE B 115 8.889 -7.610 4.379 1.00 0.91 C ATOM 2283 CG2 ILE B 115 8.100 -9.712 3.259 1.00 0.95 C ATOM 2284 CD1 ILE B 115 8.162 -7.877 5.682 1.00 0.95 C ATOM 0 H ILE B 115 8.354 -5.825 2.355 1.00 0.84 H new ATOM 0 HA ILE B 115 9.984 -8.055 1.943 1.00 0.90 H new ATOM 0 HB ILE B 115 7.177 -7.794 3.100 1.00 0.89 H new ATOM 0 HG12 ILE B 115 9.895 -8.024 4.444 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.995 -6.533 4.248 1.00 0.91 H new ATOM 0 HG21 ILE B 115 7.574 -9.979 4.175 1.00 0.95 H new ATOM 0 HG22 ILE B 115 7.558 -10.108 2.401 1.00 0.95 H new ATOM 0 HG23 ILE B 115 9.104 -10.135 3.281 1.00 0.95 H new ATOM 0 HD11 ILE B 115 8.719 -7.432 6.507 1.00 0.95 H new ATOM 0 HD12 ILE B 115 7.165 -7.438 5.639 1.00 0.95 H new ATOM 0 HD13 ILE B 115 8.079 -8.952 5.838 1.00 0.95 H new ATOM 2296 N ASP B 116 7.136 -8.107 0.249 1.00 1.03 N ATOM 2297 CA ASP B 116 6.442 -8.754 -0.863 1.00 1.15 C ATOM 2298 C ASP B 116 7.279 -8.709 -2.138 1.00 1.08 C ATOM 2299 O ASP B 116 7.298 -9.667 -2.917 1.00 1.16 O ATOM 2300 CB ASP B 116 5.080 -8.092 -1.104 1.00 1.29 C ATOM 2301 CG ASP B 116 3.936 -9.089 -1.087 1.00 1.56 C ATOM 2302 OD1 ASP B 116 4.038 -10.105 -0.364 1.00 1.57 O ATOM 2303 OD2 ASP B 116 2.935 -8.868 -1.797 1.00 2.13 O ATOM 0 H ASP B 116 6.631 -7.322 0.660 1.00 1.03 H new ATOM 0 HA ASP B 116 6.286 -9.799 -0.595 1.00 1.15 H new ATOM 0 HB2 ASP B 116 4.908 -7.334 -0.340 1.00 1.29 H new ATOM 0 HB3 ASP B 116 5.095 -7.578 -2.065 1.00 1.29 H new ATOM 2308 N ASN B 117 7.990 -7.607 -2.334 1.00 0.95 N ATOM 2309 CA ASN B 117 8.829 -7.437 -3.517 1.00 0.93 C ATOM 2310 C ASN B 117 10.080 -8.321 -3.444 1.00 0.95 C ATOM 2311 O ASN B 117 10.465 -8.944 -4.430 1.00 1.00 O ATOM 2312 CB ASN B 117 9.236 -5.968 -3.674 1.00 0.97 C ATOM 2313 CG ASN B 117 9.812 -5.664 -5.046 1.00 1.17 C ATOM 2314 OD1 ASN B 117 9.419 -6.260 -6.048 1.00 1.29 O ATOM 2315 ND2 ASN B 117 10.752 -4.733 -5.099 1.00 1.38 N ATOM 0 H ASN B 117 8.004 -6.816 -1.690 1.00 0.95 H new ATOM 0 HA ASN B 117 8.246 -7.743 -4.386 1.00 0.93 H new ATOM 0 HB2 ASN B 117 8.367 -5.334 -3.500 1.00 0.97 H new ATOM 0 HB3 ASN B 117 9.972 -5.715 -2.911 1.00 0.97 H new ATOM 0 HD21 ASN B 117 11.177 -4.488 -5.993 1.00 1.38 H new ATOM 0 HD22 ASN B 117 11.051 -4.261 -4.246 1.00 1.38 H new ATOM 2322 N THR B 118 10.699 -8.389 -2.266 1.00 1.00 N ATOM 2323 CA THR B 118 11.910 -9.194 -2.089 1.00 1.12 C ATOM 2324 C THR B 118 11.583 -10.682 -2.013 1.00 1.21 C ATOM 2325 O THR B 118 12.426 -11.532 -2.309 1.00 1.37 O ATOM 2326 CB THR B 118 12.697 -8.775 -0.829 1.00 1.19 C ATOM 2327 OG1 THR B 118 11.793 -8.388 0.212 1.00 1.29 O ATOM 2328 CG2 THR B 118 13.637 -7.621 -1.136 1.00 1.57 C ATOM 0 H THR B 118 10.387 -7.902 -1.426 1.00 1.00 H new ATOM 0 HA THR B 118 12.534 -9.013 -2.964 1.00 1.12 H new ATOM 0 HB THR B 118 13.287 -9.631 -0.500 1.00 1.19 H new ATOM 0 HG1 THR B 118 11.536 -7.450 0.090 1.00 1.29 H new ATOM 0 HG21 THR B 118 14.180 -7.344 -0.233 1.00 1.57 H new ATOM 0 HG22 THR B 118 14.346 -7.924 -1.907 1.00 1.57 H new ATOM 0 HG23 THR B 118 13.060 -6.766 -1.489 1.00 1.57 H new ATOM 2336 N LYS B 119 10.365 -10.989 -1.590 1.00 1.22 N ATOM 2337 CA LYS B 119 9.901 -12.367 -1.489 1.00 1.37 C ATOM 2338 C LYS B 119 9.549 -12.891 -2.880 1.00 1.41 C ATOM 2339 O LYS B 119 9.599 -14.092 -3.146 1.00 1.65 O ATOM 2340 CB LYS B 119 8.686 -12.428 -0.559 1.00 1.44 C ATOM 2341 CG LYS B 119 7.994 -13.784 -0.497 1.00 1.57 C ATOM 2342 CD LYS B 119 6.731 -13.723 0.352 1.00 1.83 C ATOM 2343 CE LYS B 119 5.665 -12.849 -0.291 1.00 1.82 C ATOM 2344 NZ LYS B 119 4.630 -12.412 0.683 1.00 1.87 N ATOM 0 H LYS B 119 9.673 -10.295 -1.308 1.00 1.22 H new ATOM 0 HA LYS B 119 10.689 -12.995 -1.073 1.00 1.37 H new ATOM 0 HB2 LYS B 119 9.002 -12.151 0.447 1.00 1.44 H new ATOM 0 HB3 LYS B 119 7.961 -11.681 -0.882 1.00 1.44 H new ATOM 0 HG2 LYS B 119 7.741 -14.112 -1.505 1.00 1.57 H new ATOM 0 HG3 LYS B 119 8.678 -14.525 -0.083 1.00 1.57 H new ATOM 0 HD2 LYS B 119 6.339 -14.730 0.495 1.00 1.83 H new ATOM 0 HD3 LYS B 119 6.975 -13.333 1.340 1.00 1.83 H new ATOM 0 HE2 LYS B 119 6.136 -11.972 -0.735 1.00 1.82 H new ATOM 0 HE3 LYS B 119 5.188 -13.399 -1.102 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 4.485 -11.386 0.599 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 3.736 -12.905 0.484 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 4.944 -12.639 1.648 1.00 1.87 H new ATOM 2358 N GLY B 120 9.194 -11.970 -3.766 1.00 1.52 N ATOM 2359 CA GLY B 120 8.851 -12.336 -5.120 1.00 1.69 C ATOM 2360 C GLY B 120 7.382 -12.667 -5.285 1.00 1.69 C ATOM 2361 O GLY B 120 7.038 -13.659 -5.931 1.00 2.16 O ATOM 0 H GLY B 120 9.138 -10.971 -3.566 1.00 1.52 H new ATOM 0 HA2 GLY B 120 9.111 -11.517 -5.790 1.00 1.69 H new ATOM 0 HA3 GLY B 120 9.449 -13.196 -5.421 1.00 1.69 H new ATOM 2365 N GLN B 121 6.518 -11.833 -4.708 1.00 1.54 N ATOM 2366 CA GLN B 121 5.070 -12.030 -4.796 1.00 1.83 C ATOM 2367 C GLN B 121 4.631 -12.166 -6.250 1.00 1.53 C ATOM 2368 O GLN B 121 4.183 -13.229 -6.681 1.00 1.76 O ATOM 2369 CB GLN B 121 4.339 -10.857 -4.143 1.00 2.41 C ATOM 2370 CG GLN B 121 2.823 -10.970 -4.197 1.00 3.25 C ATOM 2371 CD GLN B 121 2.282 -12.024 -3.256 1.00 3.93 C ATOM 2372 OE1 GLN B 121 2.082 -13.178 -3.640 1.00 4.44 O ATOM 2373 NE2 GLN B 121 2.060 -11.640 -2.011 1.00 4.31 N ATOM 0 H GLN B 121 6.796 -11.011 -4.172 1.00 1.54 H new ATOM 0 HA GLN B 121 4.818 -12.950 -4.268 1.00 1.83 H new ATOM 0 HB2 GLN B 121 4.651 -10.781 -3.101 1.00 2.41 H new ATOM 0 HB3 GLN B 121 4.643 -9.933 -4.635 1.00 2.41 H new ATOM 0 HG2 GLN B 121 2.382 -10.005 -3.947 1.00 3.25 H new ATOM 0 HG3 GLN B 121 2.516 -11.207 -5.216 1.00 3.25 H new ATOM 0 HE21 GLN B 121 2.239 -10.674 -1.735 1.00 4.31 H new ATOM 0 HE22 GLN B 121 1.710 -12.309 -1.326 1.00 4.31 H new ATOM 2382 N MET B 122 4.789 -11.092 -7.007 1.00 1.52 N ATOM 2383 CA MET B 122 4.419 -11.081 -8.418 1.00 1.72 C ATOM 2384 C MET B 122 5.609 -11.484 -9.282 1.00 1.91 C ATOM 2385 O MET B 122 5.612 -11.280 -10.493 1.00 2.38 O ATOM 2386 CB MET B 122 3.920 -9.694 -8.825 1.00 2.18 C ATOM 2387 CG MET B 122 4.956 -8.591 -8.643 1.00 2.58 C ATOM 2388 SD MET B 122 4.363 -6.980 -9.192 1.00 3.62 S ATOM 2389 CE MET B 122 4.226 -7.247 -10.957 1.00 3.50 C ATOM 0 H MET B 122 5.173 -10.210 -6.668 1.00 1.52 H new ATOM 0 HA MET B 122 3.616 -11.802 -8.571 1.00 1.72 H new ATOM 0 HB2 MET B 122 3.611 -9.721 -9.870 1.00 2.18 H new ATOM 0 HB3 MET B 122 3.035 -9.449 -8.237 1.00 2.18 H new ATOM 0 HG2 MET B 122 5.236 -8.531 -7.591 1.00 2.58 H new ATOM 0 HG3 MET B 122 5.857 -8.850 -9.198 1.00 2.58 H new ATOM 0 HE1 MET B 122 4.203 -6.285 -11.470 1.00 3.50 H new ATOM 0 HE2 MET B 122 5.083 -7.824 -11.305 1.00 3.50 H new ATOM 0 HE3 MET B 122 3.309 -7.795 -11.172 1.00 3.50 H new ATOM 2399 N LEU B 123 6.617 -12.066 -8.646 1.00 1.78 N ATOM 2400 CA LEU B 123 7.819 -12.492 -9.345 1.00 2.20 C ATOM 2401 C LEU B 123 7.876 -14.015 -9.449 1.00 2.10 C ATOM 2402 O LEU B 123 8.588 -14.564 -10.288 1.00 2.50 O ATOM 2403 CB LEU B 123 9.060 -11.959 -8.623 1.00 2.59 C ATOM 2404 CG LEU B 123 10.347 -11.933 -9.449 1.00 3.35 C ATOM 2405 CD1 LEU B 123 10.197 -11.009 -10.650 1.00 3.97 C ATOM 2406 CD2 LEU B 123 11.517 -11.494 -8.581 1.00 3.91 C ATOM 0 H LEU B 123 6.624 -12.254 -7.643 1.00 1.78 H new ATOM 0 HA LEU B 123 7.795 -12.085 -10.356 1.00 2.20 H new ATOM 0 HB2 LEU B 123 8.851 -10.946 -8.278 1.00 2.59 H new ATOM 0 HB3 LEU B 123 9.232 -12.569 -7.736 1.00 2.59 H new ATOM 0 HG LEU B 123 10.543 -12.940 -9.818 1.00 3.35 H new ATOM 0 HD11 LEU B 123 11.124 -11.005 -11.224 1.00 3.97 H new ATOM 0 HD12 LEU B 123 9.381 -11.362 -11.281 1.00 3.97 H new ATOM 0 HD13 LEU B 123 9.979 -9.998 -10.306 1.00 3.97 H new ATOM 0 HD21 LEU B 123 12.428 -11.479 -9.179 1.00 3.91 H new ATOM 0 HD22 LEU B 123 11.324 -10.496 -8.188 1.00 3.91 H new ATOM 0 HD23 LEU B 123 11.638 -12.192 -7.753 1.00 3.91 H new ATOM 2418 N GLY B 124 7.114 -14.690 -8.597 1.00 1.96 N ATOM 2419 CA GLY B 124 7.091 -16.138 -8.613 1.00 2.12 C ATOM 2420 C GLY B 124 8.187 -16.747 -7.758 1.00 1.96 C ATOM 2421 O GLY B 124 8.752 -17.783 -8.117 1.00 2.47 O ATOM 0 H GLY B 124 6.512 -14.259 -7.895 1.00 1.96 H new ATOM 0 HA2 GLY B 124 6.121 -16.487 -8.257 1.00 2.12 H new ATOM 0 HA3 GLY B 124 7.199 -16.488 -9.640 1.00 2.12 H new ATOM 2425 N LEU B 125 8.491 -16.090 -6.634 1.00 1.78 N ATOM 2426 CA LEU B 125 9.520 -16.558 -5.697 1.00 2.12 C ATOM 2427 C LEU B 125 10.891 -16.661 -6.379 1.00 2.14 C ATOM 2428 O LEU B 125 11.136 -16.026 -7.408 1.00 2.27 O ATOM 2429 CB LEU B 125 9.112 -17.912 -5.098 1.00 3.02 C ATOM 2430 CG LEU B 125 7.779 -17.910 -4.341 1.00 3.66 C ATOM 2431 CD1 LEU B 125 7.283 -19.331 -4.127 1.00 4.66 C ATOM 2432 CD2 LEU B 125 7.922 -17.189 -3.010 1.00 4.04 C ATOM 0 H LEU B 125 8.034 -15.224 -6.348 1.00 1.78 H new ATOM 0 HA LEU B 125 9.605 -15.827 -4.893 1.00 2.12 H new ATOM 0 HB2 LEU B 125 9.055 -18.646 -5.902 1.00 3.02 H new ATOM 0 HB3 LEU B 125 9.898 -18.244 -4.419 1.00 3.02 H new ATOM 0 HG LEU B 125 7.044 -17.377 -4.944 1.00 3.66 H new ATOM 0 HD11 LEU B 125 6.336 -19.308 -3.588 1.00 4.66 H new ATOM 0 HD12 LEU B 125 7.140 -19.816 -5.093 1.00 4.66 H new ATOM 0 HD13 LEU B 125 8.018 -19.889 -3.546 1.00 4.66 H new ATOM 0 HD21 LEU B 125 6.966 -17.198 -2.487 1.00 4.04 H new ATOM 0 HD22 LEU B 125 8.673 -17.693 -2.402 1.00 4.04 H new ATOM 0 HD23 LEU B 125 8.230 -16.158 -3.186 1.00 4.04 H new ATOM 2444 N GLY B 126 11.783 -17.445 -5.787 1.00 2.65 N ATOM 2445 CA GLY B 126 13.110 -17.623 -6.346 1.00 3.11 C ATOM 2446 C GLY B 126 14.172 -16.864 -5.574 1.00 3.37 C ATOM 2447 O GLY B 126 14.861 -16.006 -6.132 1.00 3.85 O ATOM 0 H GLY B 126 11.610 -17.963 -4.926 1.00 2.65 H new ATOM 0 HA2 GLY B 126 13.359 -18.684 -6.352 1.00 3.11 H new ATOM 0 HA3 GLY B 126 13.111 -17.289 -7.384 1.00 3.11 H new ATOM 2451 N ASN B 127 14.303 -17.169 -4.293 1.00 3.48 N ATOM 2452 CA ASN B 127 15.290 -16.503 -3.442 1.00 4.24 C ATOM 2453 C ASN B 127 16.552 -17.352 -3.223 1.00 4.48 C ATOM 2454 O ASN B 127 17.660 -16.842 -3.396 1.00 5.16 O ATOM 2455 CB ASN B 127 14.677 -16.099 -2.097 1.00 4.70 C ATOM 2456 CG ASN B 127 13.953 -14.769 -2.172 1.00 5.60 C ATOM 2457 OD1 ASN B 127 12.761 -14.715 -2.467 1.00 5.93 O ATOM 2458 ND2 ASN B 127 14.668 -13.688 -1.906 1.00 6.21 N ATOM 0 H ASN B 127 13.741 -17.873 -3.815 1.00 3.48 H new ATOM 0 HA ASN B 127 15.597 -15.602 -3.973 1.00 4.24 H new ATOM 0 HB2 ASN B 127 13.981 -16.872 -1.771 1.00 4.70 H new ATOM 0 HB3 ASN B 127 15.463 -16.040 -1.345 1.00 4.70 H new ATOM 0 HD21 ASN B 127 14.232 -12.767 -1.942 1.00 6.21 H new ATOM 0 HD22 ASN B 127 15.655 -13.776 -1.665 1.00 6.21 H new ATOM 2465 N PRO B 128 16.426 -18.645 -2.832 1.00 4.21 N ATOM 2466 CA PRO B 128 17.593 -19.510 -2.609 1.00 4.77 C ATOM 2467 C PRO B 128 18.345 -19.798 -3.904 1.00 5.08 C ATOM 2468 O PRO B 128 19.412 -19.188 -4.123 1.00 5.69 O ATOM 2469 CB PRO B 128 16.995 -20.810 -2.050 1.00 4.57 C ATOM 2470 CG PRO B 128 15.605 -20.464 -1.642 1.00 3.97 C ATOM 2471 CD PRO B 128 15.172 -19.368 -2.566 1.00 3.70 C ATOM 2472 OXT PRO B 128 17.857 -20.624 -4.706 1.00 4.92 O ATOM 0 HA PRO B 128 18.316 -19.042 -1.941 1.00 4.77 H new ATOM 0 HB2 PRO B 128 16.999 -21.599 -2.802 1.00 4.57 H new ATOM 0 HB3 PRO B 128 17.574 -21.176 -1.202 1.00 4.57 H new ATOM 0 HG2 PRO B 128 14.946 -21.328 -1.724 1.00 3.97 H new ATOM 0 HG3 PRO B 128 15.572 -20.136 -0.603 1.00 3.97 H new ATOM 0 HD2 PRO B 128 14.731 -19.762 -3.482 1.00 3.70 H new ATOM 0 HD3 PRO B 128 14.424 -18.723 -2.105 1.00 3.70 H new TER 2480 PRO B 128